0 B4R0.2 B(O)OBO CHEBI:38273 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.2 C#CCC=O CHEBI:28180 [0,0,0,0,0,0|0,0,4]=4 2 B4R0.2 C#CCCO CHEBI:27444 [0,0,0,0,0,0|0,0,2]=2 3 B4R0.2 C(C#N)C#N CHEBI:33186 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C(C=O)C=O CHEBI:566274 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.2 C(CN)C#N CHEBI:27413 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 C(CN)C=O CHEBI:18090 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.2 C(CN)C=O CHEBI:27390 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.2 C(CN)CN CHEBI:15725 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.2 C(CN)CN CHEBI:35411 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 C(CN)CS CHEBI:38933 [0,0,0,0,0,0|1,1,0]=2 11 B4R0.2 C(CO)C=O CHEBI:17871 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.2 C(CO)CO CHEBI:16109 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.2 C(CO)NN CHEBI:50098 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 C(CS)CS CHEBI:44864 [0,0,0,0,0,0|1,1,0]=2 15 B4R0.2 C(C[NH3+])C#N CHEBI:91086 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:57484 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:70977 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.2 C(NCS)S CHEBI:32670 [0,0,0,0,0,0|2,1,0]=3 20 B4R0.2 C(NC[S-])[S-] CHEBI:32671 [0,0,0,0,0,0|2,1,0]=3 21 B4R0.2 C(OCCl)Cl CHEBI:82270 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.2 C(\C=C/Cl)Cl CHEBI:18809 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.2 C(\C=C/Cl)O CHEBI:28967 [0,0,0,0,0,0|1,0,2]=3 24 B4R0.2 C(\C=C\Cl)Cl CHEBI:18624 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.2 C(\C=C\Cl)O CHEBI:23120 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.2 C(\C=C\Cl)O CHEBI:28960 [0,0,0,0,0,0|1,0,2]=3 27 B4R0.2 CCCC#N CHEBI:51937 [0,0,0,0,0,0|1,0,1]=2 28 B4R0.2 CCCC=O CHEBI:15743 [0,0,0,0,0,0|0,0,2]=2 29 B4R0.2 CCCCC CHEBI:37830 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.2 CCCCN CHEBI:43799 [0,0,0,0,0,0|1,0,0]=1 31 B4R0.2 CCCCO CHEBI:28885 [0,0,0,0,0,0|0,0,0]=0 32 B4R0.2 CCCC[SnH3] CHEBI:22966 [0,0,0,0,0,0|1,0,0]=1 33 B4R0.2 CCCSO CHEBI:91018 [0,0,0,0,0,0|1,0,0]=1 34 B4R0.2 CCN=C=O CHEBI:85107 [0,0,0,0,0,0|1,0,2]=3 35 B4R0.2 CCN=C=S CHEBI:85098 [0,0,0,0,0,0|1,1,1]=3 36 B4R0.2 CCNCC CHEBI:85259 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.2 CCOC=O CHEBI:52342 [0,0,0,0,0,0|1,0,2]=3 38 B4R0.2 CCOCC CHEBI:35702 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.2 CCSCC CHEBI:27710 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.2 CCSCS CHEBI:38829 [0,0,0,0,0,0|1,1,0]=2 41 B4R0.2 CC[NH2+]CC CHEBI:132181 [0,0,0,0,0,0|2,0,0]=2 42 B4R0.2 CC[Zn]CC CHEBI:51496 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.2 CNCCO CHEBI:21763 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.2 COCCO CHEBI:46790 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.2 COCOC CHEBI:48341 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.2 CSCCO CHEBI:63861 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.2 C\C=C\C=C CHEBI:74165 [0,0,0,0,0,0|1,0,3]=4 48 B4R0.2 C\C=C\C=O CHEBI:41607 [0,0,0,0,0,0|0,0,4]=4 49 B4R0.2 C\C=C\CO CHEBI:62891 [0,0,0,0,0,0|0,0,2]=2 50 B4R0.2 [*]CCC=O CHEBI:84587 [0,0,0,0,0,0|1,0,2]=3 51 B4R0.2 [Li]CCCC CHEBI:51469 [0,0,0,0,0,0|1,0,0]=1 52 B3R0.1 B(BO)O CHEBI:38274 [1,0,0,0,0,0|3,0,0]=4 53 B3R0.1 C#CCO CHEBI:28905 [1,0,0,0,0,0|0,0,2]=3 54 B3R0.1 C(=C/O)/O CHEBI:131198 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.1 C(C=O)Cl CHEBI:27871 [1,0,0,0,0,0|1,0,2]=4 56 B3R0.1 C(C=O)F CHEBI:14272 [1,0,0,0,0,0|1,0,2]=4 57 B3R0.1 C(C=O)N CHEBI:17628 [1,0,0,0,0,0|1,0,2]=4 58 B3R0.1 C(C=O)O CHEBI:17071 [1,0,0,0,0,0|1,0,1]=3 59 B3R0.1 C(C=O)[NH3+] CHEBI:58213 [1,0,0,0,0,0|1,0,2]=4 60 B3R0.1 C(CBr)Br CHEBI:28534 [1,0,0,0,0,0|2,0,0]=3 61 B3R0.1 C(CBr)Cl CHEBI:19032 [1,0,0,0,0,0|2,0,0]=3 62 B3R0.1 C(CCl)Cl CHEBI:27789 [1,0,0,0,0,0|2,0,0]=3 63 B3R0.1 C(CCl)O CHEBI:28200 [1,0,0,0,0,0|1,0,0]=2 64 B3R0.1 C(CN)N CHEBI:30346 [1,0,0,0,0,0|2,0,0]=3 65 B3R0.1 C(CN)N CHEBI:30347 [1,0,0,0,0,0|2,0,0]=3 66 B3R0.1 C(CN)N CHEBI:53626 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.1 C(CO)N CHEBI:16000 [1,0,0,0,0,0|1,0,0]=2 68 B3R0.1 C(CO)O CHEBI:30742 [1,0,0,0,0,0|1,0,0]=2 69 B3R0.1 C(CO)[NH3+] CHEBI:57603 [1,0,0,0,0,0|1,0,0]=2 70 B3R0.1 C(CO)[NH3+] CHEBI:63878 [1,0,0,0,0,0|1,0,0]=2 71 B3R0.1 C(CS)N CHEBI:17141 [1,0,0,0,0,0|1,1,0]=3 72 B3R0.1 C(CS)O CHEBI:41218 [1,0,0,0,0,0|1,0,0]=2 73 B3R0.1 C(CS)[NH3+] CHEBI:58029 [1,0,0,0,0,0|1,1,0]=3 74 B3R0.1 C=CCO CHEBI:16605 [1,0,0,0,0,0|0,0,2]=3 75 B3R0.1 CC#N=S CHEBI:47842 [1,0,0,0,0,0|1,1,1]=4 76 B3R0.1 CC#[N+][O-] CHEBI:47841 [1,0,0,0,0,0|1,0,2]=4 77 B3R0.1 CC=C=C CHEBI:39480 [1,0,0,0,0,0|0,0,3]=4 78 B3R0.1 CC=[N+]=[N-] CHEBI:87492 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.1 CCC#C CHEBI:48087 [1,0,0,0,0,0|0,0,2]=3 80 B3R0.1 CCC#N CHEBI:26307 [1,0,0,0,0,0|1,0,1]=3 81 B3R0.1 CCC=C CHEBI:48362 [1,0,0,0,0,0|0,0,2]=3 82 B3R0.1 CCC=O CHEBI:17153 [1,0,0,0,0,0|0,0,2]=3 83 B3R0.1 CCCBr CHEBI:47105 [1,0,0,0,0,0|1,0,0]=2 84 B3R0.1 CCCC CHEBI:37808 [1,0,0,0,0,0|0,0,0]=1 85 B3R0.1 CCCN CHEBI:39870 [1,0,0,0,0,0|1,0,0]=2 86 B3R0.1 CCCO CHEBI:28831 [1,0,0,0,0,0|0,0,0]=1 87 B3R0.1 CCCP CHEBI:35891 [1,0,0,0,0,0|1,0,0]=2 88 B3R0.1 CCCS CHEBI:8473 [1,0,0,0,0,0|0,1,0]=2 89 B3R0.1 CCC[NH3+] CHEBI:566825 [1,0,0,0,0,0|1,0,0]=2 90 B3R0.1 CCN=O CHEBI:50722 [1,0,0,0,0,0|1,0,1]=3 91 B3R0.1 CCOC CHEBI:39832 [1,0,0,0,0,0|1,0,0]=2 92 B3R0.1 CC[Mg]Cl CHEBI:51239 [1,0,0,0,0,0|2,0,0]=3 93 B3R0.1 CN=C=O CHEBI:59059 [1,0,0,0,0,0|1,0,2]=4 94 B3R0.1 CN=C=S CHEBI:78337 [1,0,0,0,0,0|1,1,1]=4 95 B3R0.1 CNC=O CHEBI:7438 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.1 CNNC CHEBI:73755 [1,0,0,0,0,0|2,0,0]=3 97 B3R0.1 CNNC CHEBI:73759 [1,0,0,0,0,0|2,0,0]=3 98 B3R0.1 COC#N CHEBI:38907 [1,0,0,0,0,0|2,0,1]=4 99 B3R0.1 COC=O CHEBI:77699 [1,0,0,0,0,0|1,0,2]=4 100 B3R0.1 COCO CHEBI:46791 [1,0,0,0,0,0|1,0,0]=2 101 B3R0.1 COOC CHEBI:35928 [1,0,0,0,0,0|2,0,0]=3 102 B3R0.1 CSC#N CHEBI:61112 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.1 CSSC CHEBI:4608 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.1 C[NH2+][NH2+]C CHEBI:73760 [1,0,0,0,0,0|2,0,0]=3 105 B3R0.1 C[Te][Te]C CHEBI:68648 [1,0,0,0,0,0|2,0,0]=3 106 B3R0.1 C\C=C/C CHEBI:48366 [1,0,0,0,0,0|0,0,2]=3 107 B3R0.1 C\C=C\C CHEBI:48363 [1,0,0,0,0,0|0,0,2]=3 108 B3R0.1 C\C=C\C CHEBI:48365 [1,0,0,0,0,0|0,0,2]=3 109 B3R0.1 C\C=C\S CHEBI:59723 [1,0,0,0,0,0|0,1,2]=4 110 B3R0.1 C\C=N/N CHEBI:38538 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.1 C\C=N/O CHEBI:50719 [1,0,0,0,0,0|1,0,1]=3 112 B3R0.1 C\C=N\N CHEBI:38535 [1,0,0,0,0,0|2,0,1]=4 113 B3R0.1 C\C=N\N CHEBI:38536 [1,0,0,0,0,0|2,0,1]=4 114 B3R0.1 C\C=N\O CHEBI:28465 [1,0,0,0,0,0|1,0,1]=3 115 B3R0.1 C\C=N\O CHEBI:50718 [1,0,0,0,0,0|1,0,1]=3 116 B3R0.1 N(=NO)O CHEBI:14428 [1,0,0,0,0,0|3,0,0]=4 117 B3R0.1 N(=N[O-])O CHEBI:50115 [1,0,0,0,0,0|3,0,0]=4 118 B3R0.1 N(=O)OO CHEBI:25942 [1,0,0,0,0,0|3,0,0]=4 119 B3R0.1 OSSO CHEBI:35921 [1,0,0,0,0,0|3,0,0]=4 120 B3R0.1 OSS[O-] CHEBI:35922 [1,0,0,0,0,0|3,0,0]=4 121 B3R0.1 [*]C#CO CHEBI:33824 [1,0,0,0,0,0|1,0,2]=4 122 B3R0.1 [*]CN[*] CHEBI:50981 [1,0,0,0,0,0|3,0,0]=4 123 B3R0.1 [*]C[NH2+][*] CHEBI:58855 [1,0,0,0,0,0|3,0,0]=4 124 B3R0.1 [*]\C=N/O CHEBI:22307 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.1 [C](=O)OO CHEBI:29790 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.1 [Li]C#CC CHEBI:51473 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.1 C#CCC(=O)O CHEBI:1461 [0,1,0,0,0,0|0,0,3]=4 128 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [0,1,0,0,0,0|1,0,2]=4 129 B5R0.1 C(C(=O)O)NO CHEBI:38049 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [0,1,0,0,0,0|1,0,2]=4 131 B5R0.1 C(CN)C(=O)N CHEBI:55360 [0,1,0,0,0,0|1,0,2]=4 132 B5R0.1 C(CN)C(=O)O CHEBI:16958 [0,1,0,0,0,0|1,0,1]=3 133 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.1 C(CO)C(=O)O CHEBI:33404 [0,1,0,0,0,0|1,0,1]=3 135 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [0,1,0,0,0,0|1,0,1]=3 136 B5R0.1 C(CS(=O)O)N CHEBI:16668 [0,1,0,0,0,0|2,0,0]=3 137 B5R0.1 C(CS(=O)[O-])[NH3+] CHEBI:57853 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 C(CS)C(=O)O CHEBI:44111 [0,1,0,0,0,0|1,0,1]=3 139 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [0,1,0,0,0,0|1,0,2]=4 142 B5R0.1 C(NC(=O)N)O CHEBI:16481 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 C(N[N+](=O)[O-])O CHEBI:24722 [0,1,0,0,0,0|3,0,0]=4 144 B5R0.1 C=CCC(=O)O CHEBI:35897 [0,1,0,0,0,0|0,0,3]=4 145 B5R0.1 CC(=C)CCO CHEBI:62898 [0,1,0,0,0,0|0,0,1]=2 146 B5R0.1 CC(=CCO)C CHEBI:16019 [0,1,0,0,0,0|0,0,2]=3 147 B5R0.1 CC(=O)CC=C CHEBI:87508 [0,1,0,0,0,0|1,0,2]=4 148 B5R0.1 CC(=O)CCO CHEBI:41268 [0,1,0,0,0,0|0,0,1]=2 149 B5R0.1 CC(C)CC=O CHEBI:16638 [0,1,0,0,0,0|0,0,2]=3 150 B5R0.1 CC(C)CCN CHEBI:43689 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.1 CC(C)CCO CHEBI:15837 [0,1,0,0,0,0|0,0,0]=1 152 B5R0.1 CC(C)CNO CHEBI:131928 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.1 CC(C)\C=C\O CHEBI:77922 [0,1,0,0,0,0|0,0,2]=3 154 B5R0.1 CC(C)\C=N/O CHEBI:61144 [0,1,0,0,0,0|1,0,1]=3 155 B5R0.1 CC(C)\C=N\O CHEBI:17502 [0,1,0,0,0,0|1,0,1]=3 156 B5R0.1 CC(C)\C=N\O CHEBI:61143 [0,1,0,0,0,0|1,0,1]=3 157 B5R0.1 CC(CCO)O CHEBI:52683 [0,1,0,0,0,0|0,0,0]=1 158 B5R0.1 CCCC(=O)C CHEBI:16472 [0,1,0,0,0,0|0,0,2]=3 159 B5R0.1 CCCC(=O)N CHEBI:50724 [0,1,0,0,0,0|0,0,2]=3 160 B5R0.1 CCCC(=O)O CHEBI:30772 [0,1,0,0,0,0|0,0,1]=2 161 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [0,1,0,0,0,0|0,0,2]=3 162 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [0,1,0,0,0,0|0,0,2]=3 163 B5R0.1 CCCC(C)O CHEBI:77518 [0,1,0,0,0,0|0,0,0]=1 164 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [0,1,0,0,0,0|1,0,1]=3 165 B5R0.1 CCNC(=O)C CHEBI:87370 [0,1,0,0,0,0|1,0,2]=4 166 B5R0.1 CCOC(=O)C CHEBI:27750 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.1 CCOC(=O)N CHEBI:17967 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.1 CCOC(=O)O CHEBI:50849 [0,1,0,0,0,0|1,0,1]=3 169 B5R0.1 CCOP(=O)O CHEBI:40926 [0,1,0,0,0,0|2,0,0]=3 170 B5R0.1 CCOP(=O)[O-] CHEBI:84033 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.1 CN(C)CCCl CHEBI:78153 [0,1,0,0,0,0|2,0,0]=3 172 B5R0.1 CN(C)CCCl CHEBI:78155 [0,1,0,0,0,0|2,0,0]=3 173 B5R0.1 CN(C)CCO CHEBI:271436 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.1 CNCC(=O)O CHEBI:15611 [0,1,0,0,0,0|1,0,1]=3 175 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [0,1,0,0,0,0|1,0,2]=4 176 B5R0.1 COCC(=O)O CHEBI:132098 [0,1,0,0,0,0|1,0,1]=3 177 B5R0.1 COCC(=O)[O-] CHEBI:132096 [0,1,0,0,0,0|1,0,2]=4 178 B5R0.1 COCC(=O)[O-] CHEBI:132097 [0,1,0,0,0,0|1,0,2]=4 179 B5R0.1 CSCC(=O)O CHEBI:47870 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [0,1,0,0,0,0|1,0,2]=4 181 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [0,1,0,0,0,0|0,0,0]=1 182 B5R0.1 C[C@H](CCO)O CHEBI:52687 [0,1,0,0,0,0|0,0,0]=1 183 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [0,1,0,0,0,0|2,0,0]=3 184 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [0,1,0,0,0,0|1,0,2]=4 186 B5R0.1 C[S+](C)CCO CHEBI:63035 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [0,1,0,0,0,0|0,0,3]=4 188 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [0,1,0,0,0,0|0,0,3]=4 189 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [0,1,0,0,0,0|0,0,3]=4 190 B5R0.1 C\[N+](=N\CO)\[O-] CHEBI:29323 [0,1,0,0,0,0|2,0,0]=3 191 B5R0.1 [*]C(=O)OCC CHEBI:13209 [0,1,0,0,0,0|1,0,2]=4 192 B5R0.1 [Li]C(=C)OCC CHEBI:59557 [0,1,0,0,0,0|2,0,1]=4 193 B5R0.2 C#CCCC#C CHEBI:37821 [0,1,0,0,0,0|1,0,2]=4 194 B5R0.2 C(C#CC=O)O CHEBI:16711 [0,1,0,0,0,0|0,0,3]=4 195 B5R0.2 C(C#CCO)O CHEBI:16413 [0,1,0,0,0,0|0,0,2]=3 196 B5R0.2 C(CC=O)CN CHEBI:17769 [0,1,0,0,0,0|0,0,2]=3 197 B5R0.2 C(CC=O)C[NH3+] CHEBI:58264 [0,1,0,0,0,0|0,0,2]=3 198 B5R0.2 C(CCCl)CO CHEBI:87310 [0,1,0,0,0,0|0,0,0]=1 199 B5R0.2 C(CCN)CN CHEBI:17148 [0,1,0,0,0,0|1,0,0]=2 200 B5R0.2 C(CCO)CO CHEBI:41189 [0,1,0,0,0,0|0,0,0]=1 201 B5R0.2 C(CC[NH3+])C[NH3+] CHEBI:326268 [0,1,0,0,0,0|1,0,0]=2 202 B5R0.2 CCCCC=C CHEBI:24579 [0,1,0,0,0,0|1,0,0]=2 203 B5R0.2 CCCCC=O CHEBI:84069 [0,1,0,0,0,0|0,0,1]=2 204 B5R0.2 CCCCCC CHEBI:29021 [0,1,0,0,0,0|1,0,0]=2 205 B5R0.2 CCCCCN CHEBI:74848 [0,1,0,0,0,0|1,0,0]=2 206 B5R0.2 CCCCCO CHEBI:44884 [0,1,0,0,0,0|0,0,0]=1 207 B5R0.2 CCCCNC CHEBI:59019 [0,1,0,0,0,0|1,0,0]=2 208 B5R0.2 CCC\C=N\O CHEBI:59012 [0,1,0,0,0,0|0,0,1]=2 209 B5R0.2 CCOCCO CHEBI:46788 [0,1,0,0,0,0|0,0,0]=1 210 B5R0.2 CCOOCC CHEBI:35929 [0,1,0,0,0,0|2,0,0]=3 211 B5R0.2 CCSCCS CHEBI:38625 [0,1,0,0,0,0|0,1,0]=2 212 B5R0.2 CC\C=C\C=O CHEBI:61722 [0,1,0,0,0,0|0,0,3]=4 213 B5R0.2 COCCOC CHEBI:42263 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.2 CSCCC=O CHEBI:49017 [0,1,0,0,0,0|0,0,2]=3 215 B5R0.2 CSCCCN CHEBI:16696 [0,1,0,0,0,0|1,0,0]=2 216 B5R0.2 CSCCCO CHEBI:49019 [0,1,0,0,0,0|0,0,0]=1 217 B5R0.2 CSCCC[NH3+] CHEBI:57866 [0,1,0,0,0,0|1,0,0]=2 218 B5R0.2 CSC\C=N\O CHEBI:50716 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.2 CSSCC=C CHEBI:6854 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [0,1,0,0,0,0|1,0,2]=4 221 B5R0.3 C(C(=O)CO)O CHEBI:16016 [0,1,0,0,0,0|1,0,1]=3 222 B5R0.3 C(C(=O)NO)N CHEBI:75426 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.3 C(C(C=O)O)O CHEBI:15693 [0,1,0,0,0,0|1,0,1]=3 224 B5R0.3 C(C(C=O)O)O CHEBI:5445 [0,1,0,0,0,0|1,0,1]=3 225 B5R0.3 C(C(CBr)Br)Br CHEBI:18859 [0,1,0,0,0,0|2,0,0]=3 226 B5R0.3 C(C(CBr)O)O CHEBI:18719 [0,1,0,0,0,0|1,0,0]=2 227 B5R0.3 C(C(CCl)O)Cl CHEBI:18917 [0,1,0,0,0,0|2,0,0]=3 228 B5R0.3 C(C(CCl)O)O CHEBI:18721 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.3 C(C(CO)O)O CHEBI:17522 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.3 C(C(CO)O)O CHEBI:17754 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.3 C(C(CS)O)O CHEBI:74537 [0,1,0,0,0,0|1,0,0]=2 232 B5R0.3 C(C(CS)S)O CHEBI:64198 [0,1,0,0,0,0|1,0,0]=2 233 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [0,1,0,0,0,0|1,0,1]=3 235 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [0,1,0,0,0,0|1,0,0]=2 236 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [0,1,0,0,0,0|1,0,0]=2 237 B5R0.3 CCC(=O)CC CHEBI:87755 [0,1,0,0,0,0|1,0,1]=3 238 B5R0.3 CCC(C)C#N CHEBI:61669 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.3 CCC(C)C=O CHEBI:16182 [0,1,0,0,0,0|0,0,2]=3 240 B5R0.3 CCC(C)CO CHEBI:48945 [0,1,0,0,0,0|0,0,0]=1 241 B5R0.3 CCC(C)NC CHEBI:84267 [0,1,0,0,0,0|2,0,0]=3 242 B5R0.3 CCC(CC)N CHEBI:84248 [0,1,0,0,0,0|1,0,0]=2 243 B5R0.3 CCC(CC)O CHEBI:77519 [0,1,0,0,0,0|1,0,0]=2 244 B5R0.3 CCC(CO)O CHEBI:52682 [0,1,0,0,0,0|0,0,0]=1 245 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [0,1,0,0,0,0|1,0,0]=2 246 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [0,1,0,0,0,0|0,0,0]=1 247 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [0,1,0,0,0,0|0,0,0]=1 248 B5R0.3 CC[C@H](C)CO CHEBI:50625 [0,1,0,0,0,0|0,0,0]=1 249 B5R0.3 CC[C@H](CO)O CHEBI:52685 [0,1,0,0,0,0|0,0,0]=1 250 B5R0.3 CNC(=O)CS CHEBI:38731 [0,1,0,0,0,0|1,1,1]=4 251 B5R0.3 COC(=O)CN CHEBI:87375 [0,1,0,0,0,0|2,0,1]=4 252 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [0,1,0,0,0,0|2,0,1]=4 253 B5R1.1 C1C=CCN1 CHEBI:20198 [0,0,0,1,0,0|1,0,2]=4 254 B5R1.1 C1CC=CC1 CHEBI:49155 [0,0,0,1,0,0|1,0,1]=3 255 B5R1.1 C1CC=NC1 CHEBI:19092 [0,0,0,1,0,0|1,0,1]=3 256 B5R1.1 C1CC=[NH+]C1 CHEBI:36781 [0,0,0,1,0,0|1,0,1]=3 257 B5R1.1 C1CCCC1 CHEBI:23492 [0,0,0,1,0,0|1,0,0]=2 258 B5R1.1 C1CCNC1 CHEBI:33135 [0,0,0,1,0,0|1,0,0]=2 259 B5R1.1 C1CCOC1 CHEBI:26911 [0,0,0,1,0,0|0,0,0]=1 260 B5R1.1 C1CCPC1 CHEBI:33133 [0,0,0,1,0,0|1,0,0]=2 261 B5R1.1 C1CCSC1 CHEBI:48458 [0,0,0,1,0,0|0,1,0]=2 262 B5R1.1 C1CC[AsH]C1 CHEBI:33132 [0,0,0,1,0,0|1,0,0]=2 263 B5R1.1 C1CC[NH2+]C1 CHEBI:52145 [0,0,0,1,0,0|1,0,0]=2 264 B5R1.1 C1CN=CN1 CHEBI:53094 [0,0,0,1,0,0|2,0,1]=4 265 B5R1.1 C1CN=NN1 CHEBI:51258 [0,0,0,1,0,0|3,0,0]=4 266 B5R1.1 C1CNC=C1 CHEBI:32986 [0,0,0,1,0,0|1,0,2]=4 267 B5R1.1 C1CNCN1 CHEBI:33137 [0,0,0,1,0,0|2,0,0]=3 268 B5R1.1 C1CNNC1 CHEBI:33138 [0,0,0,1,0,0|2,0,0]=3 269 B5R1.1 C1CNNN1 CHEBI:51264 [0,0,0,1,0,0|3,0,0]=4 270 B5R1.1 C1CNOC1 CHEBI:50311 [0,0,0,1,0,0|1,0,0]=2 271 B5R1.1 C1CNSC1 CHEBI:50121 [0,0,0,1,0,0|1,1,0]=3 272 B5R1.1 C1COC=C1 CHEBI:51662 [0,0,0,1,0,0|0,0,2]=3 273 B5R1.1 C1COCN1 CHEBI:50310 [0,0,0,1,0,0|1,0,0]=2 274 B5R1.1 C1COCO1 CHEBI:87597 [0,0,0,1,0,0|1,0,0]=2 275 B5R1.1 C1CSCN1 CHEBI:50120 [0,0,0,1,0,0|1,1,0]=3 276 B5R1.1 C1CSCS1 CHEBI:38079 [0,0,0,1,0,0|1,1,0]=3 277 B5R1.1 C1CSSC1 CHEBI:38226 [0,0,0,1,0,0|1,1,0]=3 278 B5R1.1 C1NCNN1 CHEBI:51265 [0,0,0,1,0,0|3,0,0]=4 279 B5R1.2 C1CNC1=O CHEBI:327119 [0,0,0,1,0,0|1,0,2]=4 280 B5R1.2 C1COC1=O CHEBI:49073 [0,0,0,1,0,0|1,0,1]=3 281 B5R1.3 C1C(O1)CBr CHEBI:18718 [0,0,0,1,0,0|1,0,0]=2 282 B5R1.3 C1C(O1)CCl CHEBI:37144 [0,0,0,1,0,0|1,0,0]=2 283 B5R1.3 C1C(O1)CO CHEBI:30966 [0,0,0,1,0,0|1,0,0]=2 284 B5R1.3 C1[C@@H](O1)CCl CHEBI:18662 [0,0,0,1,0,0|1,0,0]=2 285 B5R1.3 C1[C@@H](O1)CO CHEBI:38690 [0,0,0,1,0,0|1,0,0]=2 286 B5R1.3 C1[C@H](O1)CCl CHEBI:37145 [0,0,0,1,0,0|1,0,0]=2 287 B5R1.3 C1[C@H](O1)CO CHEBI:18664 [0,0,0,1,0,0|1,0,0]=2 288 B5R1.3 C=CC1CN1 CHEBI:51318 [0,0,0,1,0,0|1,0,2]=4 289 B5R1.3 C=CN1CC1 CHEBI:51317 [0,0,0,1,0,0|2,0,1]=4 290 B2R0.1 B(O)O CHEBI:38267 [2,0,0,0,0,0|2,0,0]=4 291 B2R0.1 C(#N)O CHEBI:28024 [2,0,0,0,0,0|1,0,1]=4 292 B2R0.1 C(=N)O CHEBI:48431 [2,0,0,0,0,0|1,0,1]=4 293 B2R0.1 C(=O)O CHEBI:30751 [2,0,0,0,0,0|1,0,1]=4 294 B2R0.1 C(Br)Br CHEBI:47077 [2,0,0,0,0,0|2,0,0]=4 295 B2R0.1 C(Cl)Br CHEBI:17194 [2,0,0,0,0,0|2,0,0]=4 296 B2R0.1 C(Cl)Cl CHEBI:15767 [2,0,0,0,0,0|2,0,0]=4 297 B2R0.1 C(F)F CHEBI:47855 [2,0,0,0,0,0|2,0,0]=4 298 B2R0.1 C(N)N CHEBI:35413 [2,0,0,0,0,0|2,0,0]=4 299 B2R0.1 C(O)O CHEBI:48397 [2,0,0,0,0,0|1,0,0]=3 300 B2R0.1 CC#C CHEBI:48086 [2,0,0,0,0,0|0,0,2]=4 301 B2R0.1 CC#N CHEBI:38472 [2,0,0,0,0,0|1,0,1]=4 302 B2R0.1 CC=C CHEBI:16052 [2,0,0,0,0,0|0,0,2]=4 303 B2R0.1 CC=O CHEBI:15343 [2,0,0,0,0,0|0,0,2]=4 304 B2R0.1 CC=O CHEBI:16571 [2,0,0,0,0,0|0,0,2]=4 305 B2R0.1 CCC CHEBI:32879 [2,0,0,0,0,0|0,0,0]=2 306 B2R0.1 CCCl CHEBI:47554 [2,0,0,0,0,0|1,0,0]=3 307 B2R0.1 CCI CHEBI:42487 [2,0,0,0,0,0|1,0,0]=3 308 B2R0.1 CCN CHEBI:15862 [2,0,0,0,0,0|1,0,0]=3 309 B2R0.1 CCO CHEBI:16236 [2,0,0,0,0,0|0,0,0]=2 310 B2R0.1 CCO CHEBI:17246 [2,0,0,0,0,0|0,0,0]=2 311 B2R0.1 CCP CHEBI:35889 [2,0,0,0,0,0|1,0,0]=3 312 B2R0.1 CC[Hg+] CHEBI:33204 [2,0,0,0,0,0|1,0,0]=3 313 B2R0.1 CC[NH3+] CHEBI:566789 [2,0,0,0,0,0|1,0,0]=3 314 B2R0.1 CC[NH3+] CHEBI:63880 [2,0,0,0,0,0|1,0,0]=3 315 B2R0.1 CC[O-] CHEBI:52092 [2,0,0,0,0,0|0,0,1]=3 316 B2R0.1 CC[O-] CHEBI:52096 [2,0,0,0,0,0|0,0,1]=3 317 B2R0.1 CNC CHEBI:17170 [2,0,0,0,0,0|1,0,0]=3 318 B2R0.1 COC CHEBI:28887 [2,0,0,0,0,0|1,0,0]=3 319 B2R0.1 CPC CHEBI:35888 [2,0,0,0,0,0|1,0,0]=3 320 B2R0.1 CSC CHEBI:17437 [2,0,0,0,0,0|1,0,0]=3 321 B2R0.1 CSO CHEBI:48272 [2,0,0,0,0,0|1,0,0]=3 322 B2R0.1 C[C]=O CHEBI:46887 [2,0,0,0,0,0|0,0,2]=4 323 B2R0.1 C[Hg]C CHEBI:30786 [2,0,0,0,0,0|1,0,0]=3 324 B2R0.1 C[Hg]Cl CHEBI:28216 [2,0,0,0,0,0|2,0,0]=4 325 B2R0.1 C[Mg]Cl CHEBI:51492 [2,0,0,0,0,0|2,0,0]=4 326 B2R0.1 C[N+]#[C-] CHEBI:44177 [2,0,0,0,0,0|1,0,1]=4 327 B2R0.1 C[NH2+]C CHEBI:58040 [2,0,0,0,0,0|1,0,0]=3 328 B2R0.1 C[Se]C CHEBI:4610 [2,0,0,0,0,0|1,0,0]=3 329 B2R0.1 C[Se]O CHEBI:77062 [2,0,0,0,0,0|1,0,0]=3 330 B2R0.1 C[SnH2]C CHEBI:30538 [2,0,0,0,0,0|1,0,0]=3 331 B2R0.1 C[Sn]C CHEBI:30539 [2,0,0,0,0,0|1,0,0]=3 332 B2R0.1 C[Te]C CHEBI:4613 [2,0,0,0,0,0|1,0,0]=3 333 B2R0.1 C[Zn]C CHEBI:51497 [2,0,0,0,0,0|1,0,0]=3 334 B2R0.1 N(=O)O CHEBI:25567 [2,0,0,0,0,0|2,0,0]=4 335 B2R0.1 OBr=O CHEBI:29247 [2,0,0,0,0,0|2,0,0]=4 336 B2R0.1 OCl=O CHEBI:29219 [2,0,0,0,0,0|2,0,0]=4 337 B2R0.1 OF=O CHEBI:47862 [2,0,0,0,0,0|2,0,0]=4 338 B2R0.1 OI=O CHEBI:29229 [2,0,0,0,0,0|2,0,0]=4 339 B2R0.1 OOO CHEBI:46736 [2,0,0,0,0,0|2,0,0]=4 340 B2R0.1 OO[O] CHEBI:29411 [2,0,0,0,0,0|2,0,0]=4 341 B2R0.1 OO[S] CHEBI:29409 [2,0,0,0,0,0|2,0,0]=4 342 B2R0.1 OP=O CHEBI:36363 [2,0,0,0,0,0|2,0,0]=4 343 B2R0.1 OPO CHEBI:29261 [2,0,0,0,0,0|2,0,0]=4 344 B2R0.1 OS=O CHEBI:29213 [2,0,0,0,0,0|2,0,0]=4 345 B2R0.1 OSO CHEBI:33536 [2,0,0,0,0,0|2,0,0]=4 346 B2R0.1 OS[O-] CHEBI:33538 [2,0,0,0,0,0|2,0,0]=4 347 B2R0.1 OS[O] CHEBI:29408 [2,0,0,0,0,0|2,0,0]=4 348 B2R0.1 O[Al]=O CHEBI:30188 [2,0,0,0,0,0|2,0,0]=4 349 B2R0.1 O[AsH2]=O CHEBI:29840 [2,0,0,0,0,0|2,0,0]=4 350 B2R0.1 O[AsH]O CHEBI:29847 [2,0,0,0,0,0|2,0,0]=4 351 B2R0.1 O[AsH][O-] CHEBI:33410 [2,0,0,0,0,0|2,0,0]=4 352 B2R0.1 O[PH2]=O CHEBI:29031 [2,0,0,0,0,0|2,0,0]=4 353 B2R0.1 O[P][O-] CHEBI:29926 [2,0,0,0,0,0|2,0,0]=4 354 B2R0.1 O[SbH2]=O CHEBI:30300 [2,0,0,0,0,0|2,0,0]=4 355 B2R0.1 O[SbH]O CHEBI:30299 [2,0,0,0,0,0|2,0,0]=4 356 B2R0.1 O[SeH]=O CHEBI:29218 [2,0,0,0,0,0|2,0,0]=4 357 B2R0.1 O[SiH2]O CHEBI:46888 [2,0,0,0,0,0|1,1,0]=4 358 B2R0.1 O[SiH2][SiH3] CHEBI:37174 [2,0,0,0,0,0|0,2,0]=4 359 B2R0.1 O[TeH]=O CHEBI:30467 [2,0,0,0,0,0|2,0,0]=4 360 B2R0.1 [*]CN CHEBI:17062 [2,0,0,0,0,0|2,0,0]=4 361 B2R0.1 [*]CO CHEBI:15734 [2,0,0,0,0,0|1,0,0]=3 362 B2R0.1 [C-]#[N+]O CHEBI:29814 [2,0,0,0,0,0|1,0,1]=4 363 B2R0.1 [C](=N)O CHEBI:33099 [2,0,0,0,0,0|1,0,1]=4 364 B2R0.1 [C](=O)O CHEBI:29326 [2,0,0,0,0,0|1,0,1]=4 365 B2R0.1 [C](=[N-])O CHEBI:29818 [2,0,0,0,0,0|1,0,1]=4 366 B2R0.1 [Li]CC CHEBI:51468 [2,0,0,0,0,0|1,0,0]=3 367 B2R0.1 [NH2+](O)[O-] CHEBI:37766 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.1 C(C(=O)N)O CHEBI:30321 [1,1,0,0,0,0|1,0,1]=4 369 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [1,1,0,0,0,0|1,0,1]=4 370 B4R0.1 C(C(=O)O)F CHEBI:30775 [1,1,0,0,0,0|1,0,1]=4 371 B4R0.1 C(C(=O)O)I CHEBI:74571 [1,1,0,0,0,0|1,0,1]=4 372 B4R0.1 C(C(=O)O)N CHEBI:15428 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.1 C(C(=O)O)O CHEBI:17497 [1,1,0,0,0,0|1,0,1]=4 374 B4R0.1 C(C(=O)O)S CHEBI:30065 [1,1,0,0,0,0|1,0,1]=4 375 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [1,1,0,0,0,0|1,0,1]=4 376 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [1,1,0,0,0,0|1,0,1]=4 377 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [1,1,0,0,0,0|1,0,1]=4 378 B4R0.1 C(C(Cl)Cl)Cl CHEBI:36018 [1,1,0,0,0,0|2,0,0]=4 379 B4R0.1 C=C(CO)Br CHEBI:49514 [1,1,0,0,0,0|0,0,2]=4 380 B4R0.1 CC(=NO)C CHEBI:15349 [1,1,0,0,0,0|1,0,1]=4 381 B4R0.1 CC(=O)CBr CHEBI:51845 [1,1,0,0,0,0|1,0,1]=4 382 B4R0.1 CC(=O)CCl CHEBI:47220 [1,1,0,0,0,0|1,0,1]=4 383 B4R0.1 CC(=O)CN CHEBI:17906 [1,1,0,0,0,0|1,0,1]=4 384 B4R0.1 CC(=O)CO CHEBI:27957 [1,1,0,0,0,0|0,0,1]=3 385 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [1,1,0,0,0,0|1,0,1]=4 386 B4R0.1 CC(=O)NC CHEBI:87321 [1,1,0,0,0,0|1,0,1]=4 387 B4R0.1 CC(=O)NO CHEBI:27777 [1,1,0,0,0,0|1,0,1]=4 388 B4R0.1 CC(=O)OC CHEBI:77700 [1,1,0,0,0,0|1,0,1]=4 389 B4R0.1 CC(=O)SC CHEBI:51280 [1,1,0,0,0,0|1,0,1]=4 390 B4R0.1 CC(=S)OC CHEBI:51281 [1,1,0,0,0,0|1,0,1]=4 391 B4R0.1 CC(C#N)N CHEBI:27959 [1,1,0,0,0,0|1,0,1]=4 392 B4R0.1 CC(C)C#C CHEBI:87379 [1,1,0,0,0,0|0,0,2]=4 393 B4R0.1 CC(C)C=C CHEBI:77914 [1,1,0,0,0,0|0,0,2]=4 394 B4R0.1 CC(C)C=O CHEBI:48943 [1,1,0,0,0,0|0,0,2]=4 395 B4R0.1 CC(C)CN CHEBI:15997 [1,1,0,0,0,0|1,0,0]=3 396 B4R0.1 CC(C)CO CHEBI:46645 [1,1,0,0,0,0|0,0,0]=2 397 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [1,1,0,0,0,0|1,0,0]=3 398 B4R0.1 CC(C)OC CHEBI:53505 [1,1,0,0,0,0|1,0,0]=3 399 B4R0.1 CC(C=O)O CHEBI:18419 [1,1,0,0,0,0|0,0,2]=4 400 B4R0.1 CC(CCl)O CHEBI:76260 [1,1,0,0,0,0|1,0,0]=3 401 B4R0.1 CC(CN)N CHEBI:30630 [1,1,0,0,0,0|1,0,0]=3 402 B4R0.1 CC(CN)O CHEBI:19030 [1,1,0,0,0,0|1,0,0]=3 403 B4R0.1 CC(CO)O CHEBI:16997 [1,1,0,0,0,0|0,0,0]=2 404 B4R0.1 CC=C(C)C CHEBI:77916 [1,1,0,0,0,0|0,0,2]=4 405 B4R0.1 CCC(=C)C CHEBI:77915 [1,1,0,0,0,0|0,0,1]=3 406 B4R0.1 CCC(=O)C CHEBI:28398 [1,1,0,0,0,0|0,0,1]=3 407 B4R0.1 CCC(=O)N CHEBI:45422 [1,1,0,0,0,0|0,0,2]=4 408 B4R0.1 CCC(=O)O CHEBI:30768 [1,1,0,0,0,0|0,0,1]=3 409 B4R0.1 CCC(=O)[O-] CHEBI:132106 [1,1,0,0,0,0|0,0,2]=4 410 B4R0.1 CCC(=O)[O-] CHEBI:17272 [1,1,0,0,0,0|0,0,2]=4 411 B4R0.1 CCC(=O)[O-] CHEBI:63884 [1,1,0,0,0,0|0,0,2]=4 412 B4R0.1 CCC(=S)C CHEBI:36581 [1,1,0,0,0,0|0,0,1]=3 413 B4R0.1 CCC(C)C CHEBI:30362 [1,1,0,0,0,0|0,0,0]=2 414 B4R0.1 CCC(C)N CHEBI:74526 [1,1,0,0,0,0|0,0,0]=2 415 B4R0.1 CCC(C)O CHEBI:35687 [1,1,0,0,0,0|0,0,0]=2 416 B4R0.1 CC[C@@H](C)O CHEBI:35686 [1,1,0,0,0,0|0,0,0]=2 417 B4R0.1 CC[C@H](C)O CHEBI:45475 [1,1,0,0,0,0|0,0,0]=2 418 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [1,1,0,0,0,0|1,0,1]=4 419 B4R0.1 CNC(=O)O CHEBI:45379 [1,1,0,0,0,0|1,0,1]=4 420 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [1,1,0,0,0,0|1,0,1]=4 421 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [1,1,0,0,0,0|0,0,2]=4 422 B4R0.1 C[C@@H](CO)N CHEBI:78502 [1,1,0,0,0,0|0,0,0]=2 423 B4R0.1 C[C@@H](CO)O CHEBI:29002 [1,1,0,0,0,0|0,0,0]=2 424 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [1,1,0,0,0,0|0,0,0]=2 425 B4R0.1 C[C@H](C#N)N CHEBI:50618 [1,1,0,0,0,0|1,0,1]=4 426 B4R0.1 C[C@H](C=O)O CHEBI:17167 [1,1,0,0,0,0|0,0,2]=4 427 B4R0.1 C[C@H](CN)O CHEBI:15675 [1,1,0,0,0,0|1,0,0]=3 428 B4R0.1 C[C@H](CO)O CHEBI:28972 [1,1,0,0,0,0|0,0,0]=2 429 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [1,1,0,0,0,0|1,0,0]=3 430 B4R0.1 C\C(=N/O)\O CHEBI:49029 [1,1,0,0,0,0|1,0,1]=4 431 B4R0.1 C\C=[N+](\O)/[O-] CHEBI:77894 [1,1,0,0,0,0|1,0,1]=4 432 B4R0.1 [*]C(=O)CO CHEBI:52501 [1,1,0,0,0,0|1,0,1]=4 433 B4R0.1 [*][C@H](CO)O CHEBI:27636 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.1 C(CO)C(CO)O CHEBI:88063 [0,2,0,0,0,0|0,0,0]=2 435 B6R0.1 C=C(CCO)CO CHEBI:131368 [0,2,0,0,0,0|0,0,1]=3 436 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [0,2,0,0,0,0|2,0,0]=4 437 B6R0.1 CCC(=O)OCC CHEBI:41330 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 CCC(C)CCO CHEBI:87381 [0,2,0,0,0,0|0,0,0]=2 439 B6R0.1 CCC(C)\C=N/O CHEBI:61136 [0,2,0,0,0,0|0,0,1]=3 440 B6R0.1 CCC(C)\C=N\O CHEBI:61134 [0,2,0,0,0,0|0,0,1]=3 441 B6R0.1 CCC(C)\C=N\O CHEBI:61135 [0,2,0,0,0,0|0,0,1]=3 442 B6R0.1 CCCC(C#N)N CHEBI:77400 [0,2,0,0,0,0|1,0,0]=3 443 B6R0.1 CCS(=O)CCO CHEBI:38736 [0,2,0,0,0,0|0,0,0]=2 444 B6R0.1 COCC(=O)CO CHEBI:37551 [0,2,0,0,0,0|0,0,1]=3 445 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [0,2,0,0,0,0|0,0,2]=4 446 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,2,0,0,0,0|0,0,1]=3 447 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,2,0,0,0,0|0,0,2]=4 448 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,2,0,0,0,0|0,0,1]=3 449 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,2,0,0,0,0|0,0,1]=3 450 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,2,0,0,0,0|0,0,2]=4 451 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,2,0,0,0,0|0,0,2]=4 452 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,2,0,0,0,0|0,0,2]=4 453 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,2,0,0,0,0|0,0,1]=3 455 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,2,0,0,0,0|0,0,2]=4 456 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,2,0,0,0,0|0,0,1]=3 457 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,2,0,0,0,0|0,0,2]=4 458 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,2,0,0,0,0|1,0,1]=4 463 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,2,0,0,0,0|1,0,1]=4 464 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,2,0,0,0,0|1,0,1]=4 465 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,2,0,0,0,0|1,0,1]=4 470 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,2,0,0,0,0|1,0,1]=4 471 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,2,0,0,0,0|1,0,1]=4 472 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,2,0,0,0,0|1,0,1]=4 473 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,2,0,0,0,0|1,0,1]=4 474 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,2,0,0,0,0|1,0,1]=4 476 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,2,0,0,0,0|1,0,1]=4 477 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,2,0,0,0,0|1,0,1]=4 486 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,2,0,0,0,0|1,0,1]=4 488 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,2,0,0,0,0|1,0,1]=4 490 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,2,0,0,0,0|1,0,1]=4 491 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,2,0,0,0,0|1,0,1]=4 493 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,2,0,0,0,0|1,0,1]=4 495 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,2,0,0,0,0|1,0,1]=4 496 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,2,0,0,0,0|1,0,1]=4 497 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,2,0,0,0,0|1,0,1]=4 501 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,2,0,0,0,0|1,0,1]=4 502 B6R0.3 CC(C(=O)OC)O CHEBI:83221 [0,2,0,0,0,0|1,0,1]=4 503 B6R0.3 CC(C(CO)O)O CHEBI:131388 [0,2,0,0,0,0|0,0,0]=2 504 B6R0.3 CC(C)C(CO)O CHEBI:65058 [0,2,0,0,0,0|0,0,0]=2 505 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,2,0,0,0,0|1,0,1]=4 506 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,2,0,0,0,0|1,0,1]=4 507 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,2,0,0,0,0|1,0,1]=4 508 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [0,2,0,0,0,0|0,0,2]=4 509 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [0,2,0,0,0,0|0,0,2]=4 510 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [0,2,0,0,0,0|0,0,2]=4 511 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,2,0,0,0,0|0,0,1]=3 512 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,2,0,0,0,0|0,0,1]=3 513 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [0,2,0,0,0,0|0,0,2]=4 514 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [0,2,0,0,0,0|0,0,2]=4 515 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,2,0,0,0,0|0,0,1]=3 516 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [0,2,0,0,0,0|0,0,2]=4 517 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [0,2,0,0,0,0|0,0,2]=4 518 B6R0.3 CCC(C)C(C)O CHEBI:77520 [0,2,0,0,0,0|0,0,0]=2 519 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,2,0,0,0,0|0,0,1]=3 520 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,2,0,0,0,0|0,0,1]=3 521 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [0,2,0,0,0,0|0,0,2]=4 522 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [0,2,0,0,0,0|0,0,2]=4 523 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [0,2,0,0,0,0|0,0,2]=4 524 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,2,0,0,0,0|0,0,1]=3 525 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,2,0,0,0,0|0,0,1]=3 526 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,2,0,0,0,0|0,0,1]=3 527 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,2,0,0,0,0|0,0,1]=3 528 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.3 C[C@@H](C(=O)OC)O CHEBI:83222 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,2,0,0,0,0|1,0,1]=4 531 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,2,0,0,0,0|1,0,1]=4 533 B6R0.3 C[C@H](C(=O)OC)O CHEBI:74611 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [0,2,0,0,0,0|0,0,2]=4 536 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [0,2,0,0,0,0|0,0,1]=3 537 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [0,2,0,0,0,0|0,0,1]=3 538 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [0,2,0,0,0,0|0,0,2]=4 539 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [0,2,0,0,0,0|0,0,1]=3 540 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [0,2,0,0,0,0|0,0,2]=4 541 B6R0.4 C(COS(=O)=O)O CHEBI:131362 [0,2,0,0,0,0|2,0,0]=4 542 B6R0.4 C(C[N+](=O)[O-])CO CHEBI:49042 [0,2,0,0,0,0|1,0,0]=3 543 B6R0.4 C=CCCC(=O)O CHEBI:35936 [0,2,0,0,0,0|0,0,2]=4 544 B6R0.4 CC(=CCCN)C CHEBI:87502 [0,2,0,0,0,0|1,0,1]=4 545 B6R0.4 CC(=O)CCC=O CHEBI:87363 [0,2,0,0,0,0|0,0,2]=4 546 B6R0.4 CC(=O)NCCO CHEBI:74687 [0,2,0,0,0,0|0,0,1]=3 547 B6R0.4 CC(=O)NCCS CHEBI:74410 [0,2,0,0,0,0|0,1,1]=4 548 B6R0.4 CC(=O)SCCN CHEBI:17853 [0,2,0,0,0,0|1,0,1]=4 549 B6R0.4 CC(=O)SCC[NH3+] CHEBI:58295 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.4 CC(C)CCC=O CHEBI:17998 [0,2,0,0,0,0|0,0,1]=3 551 B6R0.4 CC(C)CCCO CHEBI:63910 [0,2,0,0,0,0|0,0,0]=2 552 B6R0.4 CC(C)CON=O CHEBI:46643 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.4 CC(C)NCCN CHEBI:84288 [0,2,0,0,0,0|1,0,0]=3 554 B6R0.4 CC(C)\C=N\OC CHEBI:16616 [0,2,0,0,0,0|1,0,1]=4 555 B6R0.4 CC(C)\C=N\OC CHEBI:35961 [0,2,0,0,0,0|1,0,1]=4 556 B6R0.4 CCCCC(=O)N CHEBI:16459 [0,2,0,0,0,0|0,0,1]=3 557 B6R0.4 CCCCC(=O)O CHEBI:17418 [0,2,0,0,0,0|0,0,0]=2 558 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [0,2,0,0,0,0|0,0,1]=3 559 B6R0.4 CCCCN(C)C CHEBI:59023 [0,2,0,0,0,0|1,0,0]=3 560 B6R0.4 CCCOC(=O)C CHEBI:40116 [0,2,0,0,0,0|0,0,2]=4 561 B6R0.4 CCNCC(=O)O CHEBI:15620 [0,2,0,0,0,0|0,0,1]=3 562 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [0,2,0,0,0,0|0,0,2]=4 563 B6R0.4 CC\C=C/C(=O)O CHEBI:38367 [0,2,0,0,0,0|0,0,2]=4 564 B6R0.4 CC\C=C\C(=O)O CHEBI:35939 [0,2,0,0,0,0|0,0,2]=4 565 B6R0.4 CC\C=C\C(=O)O CHEBI:38366 [0,2,0,0,0,0|0,0,2]=4 566 B6R0.4 CSCCC(=O)O CHEBI:1438 [0,2,0,0,0,0|0,0,1]=3 567 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [0,2,0,0,0,0|0,0,2]=4 568 B6R0.4 C[S+](C)CCC=O CHEBI:74027 [0,2,0,0,0,0|0,0,2]=4 569 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [0,2,0,0,0,0|0,0,2]=4 570 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [0,2,0,0,0,0|0,0,2]=4 571 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [0,2,0,0,0,0|0,0,2]=4 572 B6R0.4 [*]C(=O)NCCO CHEBI:85281 [0,2,0,0,0,0|1,0,1]=4 573 B6R0.5 C(CCl)P(=O)(O)O CHEBI:52741 [0,2,0,0,0,0|2,0,0]=4 574 B6R0.5 C(CP(=O)(O)O)N CHEBI:15573 [0,2,0,0,0,0|2,0,0]=4 575 B6R0.5 C(CP(=O)(O)O)O CHEBI:1159 [0,2,0,0,0,0|2,0,0]=4 576 B6R0.5 C(CP(=O)(O)[O-])O CHEBI:60991 [0,2,0,0,0,0|2,0,0]=4 577 B6R0.5 C(CP(=O)(O)[O-])[NH3+] CHEBI:57418 [0,2,0,0,0,0|2,0,0]=4 578 B6R0.5 C(CS(=O)(=O)O)N CHEBI:15891 [0,2,0,0,0,0|2,0,0]=4 579 B6R0.5 C(CS(=O)(=O)O)O CHEBI:1157 [0,2,0,0,0,0|2,0,0]=4 580 B6R0.5 C(CS(=O)(=O)O)S CHEBI:17905 [0,2,0,0,0,0|2,0,0]=4 581 B6R0.5 C(CS(=O)(=O)[O-])O CHEBI:61904 [0,2,0,0,0,0|2,0,0]=4 582 B6R0.5 CCOP(=O)(O)O CHEBI:42383 [0,2,0,0,0,0|2,0,0]=4 583 B6R0.5 CCOP(=O)(O)[O-] CHEBI:59759 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.5 C[As+](C)(C)CCO CHEBI:134092 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.5 C[N+](C)(C)CCO CHEBI:133341 [0,2,0,0,0,0|1,0,0]=3 586 B6R0.5 C[N+](C)(C)CCO CHEBI:15354 [0,2,0,0,0,0|1,0,0]=3 587 B6R0.5 C[N+](C)([11CH3])CCO CHEBI:72321 [0,2,0,0,0,0|1,0,0]=3 588 B6R0.5 C[N+](C)([11CH3])CCO CHEBI:72322 [0,2,0,0,0,0|1,0,0]=3 589 B6R0.6 C(CC=O)CC=O CHEBI:64276 [0,2,0,0,0,0|0,0,2]=4 590 B6R0.6 C(CCN)CCN CHEBI:18127 [0,2,0,0,0,0|1,0,0]=3 591 B6R0.6 C(CCN)CCN CHEBI:64701 [0,2,0,0,0,0|1,0,0]=3 592 B6R0.6 C(CCNO)CN CHEBI:50435 [0,2,0,0,0,0|0,0,0]=2 593 B6R0.6 C(CC[NH3+])CC[NH3+] CHEBI:58384 [0,2,0,0,0,0|1,0,0]=3 594 B6R0.6 C(CCl)NCCCl CHEBI:37599 [0,2,0,0,0,0|1,0,0]=3 595 B6R0.6 C(CCl)SCCCl CHEBI:25434 [0,2,0,0,0,0|1,0,0]=3 596 B6R0.6 C(CNCCN)N CHEBI:30629 [0,2,0,0,0,0|1,0,0]=3 597 B6R0.6 C(CNCCN)N CHEBI:3814 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.6 C(CNCCN)N CHEBI:59602 [0,2,0,0,0,0|1,0,0]=3 599 B6R0.6 C(CO)NCCO CHEBI:28123 [0,2,0,0,0,0|0,0,0]=2 600 B6R0.6 C(CO)[NH2+]CCO CHEBI:63877 [0,2,0,0,0,0|0,0,0]=2 601 B6R0.6 C(COCCN)N CHEBI:53541 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.6 C(COCCO)O CHEBI:46807 [0,2,0,0,0,0|0,0,0]=2 603 B6R0.6 C(CSCCO)O CHEBI:75184 [0,2,0,0,0,0|0,0,0]=2 604 B6R0.6 CCCCCC=O CHEBI:88528 [0,2,0,0,0,0|0,0,1]=3 605 B6R0.6 CCCCCCC CHEBI:43098 [0,2,0,0,0,0|1,0,0]=3 606 B6R0.6 CCCCCCN CHEBI:5712 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.6 CCCCCCO CHEBI:87393 [0,2,0,0,0,0|0,0,0]=2 608 B6R0.6 CCCCN=C=O CHEBI:136519 [0,2,0,0,0,0|0,0,1]=3 609 B6R0.6 CCCCN=C=S CHEBI:50534 [0,2,0,0,0,0|0,1,0]=3 610 B6R0.6 CCCCNC=O CHEBI:84287 [0,2,0,0,0,0|0,0,1]=3 611 B6R0.6 CCC\C=C/C=O CHEBI:18554 [0,2,0,0,0,0|0,0,2]=4 612 B6R0.6 CCC\C=C\C=O CHEBI:19591 [0,2,0,0,0,0|0,0,2]=4 613 B6R0.6 CCC\C=C\C=O CHEBI:28913 [0,2,0,0,0,0|0,0,2]=4 614 B6R0.6 CCOCCCO CHEBI:87489 [0,2,0,0,0,0|0,0,0]=2 615 B6R0.6 CC\C=C/CC=O CHEBI:23292 [0,2,0,0,0,0|0,0,2]=4 616 B6R0.6 CC\C=C/CCO CHEBI:28857 [0,2,0,0,0,0|0,0,0]=2 617 B6R0.6 CC\C=C\CC=O CHEBI:20030 [0,2,0,0,0,0|0,0,2]=4 618 B6R0.6 CNCCCCN CHEBI:17166 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.6 CSCC\C=N\O CHEBI:50706 [0,2,0,0,0,0|0,0,1]=3 620 B6R0.6 C[NH2+]CCCC[NH3+] CHEBI:58039 [0,2,0,0,0,0|1,0,0]=3 621 B6R0.8 CC(CO)(CO)N CHEBI:991 [0,2,0,0,0,0|1,0,0]=3 622 B6R0.8 CCC(C)(C#N)O CHEBI:60954 [0,2,0,0,0,0|1,0,1]=4 623 B6R0.8 CCC(C)(CO)O CHEBI:131357 [0,2,0,0,0,0|0,0,0]=2 624 B6R0.8 CC[C@](C)(C#N)O CHEBI:60908 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.9 CCN(CC)CC CHEBI:35026 [0,2,0,0,0,0|2,0,0]=4 626 B6R0.9 CCN(CC)N=O CHEBI:34873 [0,2,0,0,0,0|2,0,0]=4 627 B6R0.9 CCP(CC)CC CHEBI:39971 [0,2,0,0,0,0|2,0,0]=4 628 B6R0.9 CC[NH+](CC)CC CHEBI:45791 [0,2,0,0,0,0|2,0,0]=4 629 B4R1.1 C1C=CO1 CHEBI:51195 [1,0,0,1,0,0|0,0,2]=4 630 B4R1.1 C1CC=C1 CHEBI:51206 [1,0,0,1,0,0|0,0,2]=4 631 B4R1.1 C1CCC1 CHEBI:30377 [1,0,0,1,0,0|0,0,0]=2 632 B4R1.1 C1CNC1 CHEBI:30968 [1,0,0,1,0,0|1,0,0]=3 633 B4R1.1 C1COC1 CHEBI:30965 [1,0,0,1,0,0|0,0,0]=2 634 B4R1.1 C1CSC1 CHEBI:87565 [1,0,0,1,0,0|0,1,0]=3 635 B4R1.2 C1C(O1)Cl CHEBI:29129 [1,0,0,1,0,0|1,0,0]=3 636 B4R1.2 C1CC1N CHEBI:34660 [1,0,0,1,0,0|1,0,0]=3 637 B4R1.2 CC1=CC1 CHEBI:132592 [1,0,0,1,0,0|0,0,2]=4 638 B4R1.2 CC1CO1 CHEBI:38685 [1,0,0,1,0,0|0,0,0]=2 639 B4R1.2 C[C@@H]1CO1 CHEBI:28985 [1,0,0,1,0,0|0,0,0]=2 640 B4R1.2 C[C@H]1CO1 CHEBI:28982 [1,0,0,1,0,0|0,0,0]=2 641 B6R1.2 C1CC(=O)NC1 CHEBI:36592 [0,1,0,1,0,0|0,0,2]=4 642 B6R1.2 C1CC(=O)OC1 CHEBI:42639 [0,1,0,1,0,0|0,0,1]=3 643 B6R1.2 C1CC(OC1)O CHEBI:19662 [0,1,0,1,0,0|0,0,0]=2 644 B6R1.2 C1CCC(=O)C1 CHEBI:16486 [0,1,0,1,0,0|0,0,1]=3 645 B6R1.2 C1CCC(C1)O CHEBI:16133 [0,1,0,1,0,0|0,0,0]=2 646 B6R1.2 C1COC(=O)N1 CHEBI:1237 [0,1,0,1,0,0|1,0,1]=4 647 B6R1.2 CC1=CCCO1 CHEBI:51677 [0,1,0,1,0,0|0,0,1]=3 648 B6R1.2 CC1=COCC1 CHEBI:51678 [0,1,0,1,0,0|0,0,1]=3 649 B6R1.2 CC1=NCCC1 CHEBI:78856 [0,1,0,1,0,0|1,0,0]=3 650 B6R1.2 CC1=NCCO1 CHEBI:53614 [0,1,0,1,0,0|0,0,1]=3 651 B6R1.2 CC1=[NH+]CCC1 CHEBI:78220 [0,1,0,1,0,0|1,0,0]=3 652 B6R1.2 CC1COC=C1 CHEBI:51679 [0,1,0,1,0,0|0,0,2]=4 653 B6R1.2 C[C@@H]1CCCN1 CHEBI:78858 [0,1,0,1,0,0|1,0,0]=3 654 B6R1.2 C[C@@H]1CCC[NH2+]1 CHEBI:78222 [0,1,0,1,0,0|1,0,0]=3 655 B6R1.2 C[C@@H]1COC=C1 CHEBI:51680 [0,1,0,1,0,0|0,0,2]=4 656 B6R1.2 C[N+]1=CCCC1 CHEBI:27435 [0,1,0,1,0,0|1,0,0]=3 657 B6R1.11 C1CC1C(=O)N CHEBI:51457 [0,1,0,1,0,0|0,0,2]=4 658 B6R1.11 C1CC1C(=O)O CHEBI:23500 [0,1,0,1,0,0|0,0,1]=3 659 B6R1.11 C1CC1C(=O)[O-] CHEBI:36128 [0,1,0,1,0,0|0,0,2]=4 660 B6R1.1 C1CC=C=CC1 CHEBI:37612 [0,1,0,1,0,0|1,0,1]=4 661 B6R1.1 C1CC=CNC1 CHEBI:47859 [0,1,0,1,0,0|1,0,1]=4 662 B6R1.1 C1CCC=CC1 CHEBI:36404 [0,1,0,1,0,0|1,0,0]=3 663 B6R1.1 C1CCCCC1 CHEBI:29005 [0,1,0,1,0,0|1,0,0]=3 664 B6R1.1 C1CCN=CC1 CHEBI:47858 [0,1,0,1,0,0|1,0,0]=3 665 B6R1.1 C1CCNCC1 CHEBI:18049 [0,1,0,1,0,0|1,0,0]=3 666 B6R1.1 C1CCOCC1 CHEBI:46941 [0,1,0,1,0,0|0,0,0]=2 667 B6R1.1 C1CCOOC1 CHEBI:48426 [0,1,0,1,0,0|0,0,0]=2 668 B6R1.1 C1CCSSC1 CHEBI:47844 [0,1,0,1,0,0|0,1,0]=3 669 B6R1.1 C1CC[NH2+]CC1 CHEBI:589779 [0,1,0,1,0,0|1,0,0]=3 670 B6R1.1 C1CNCC=C1 CHEBI:47860 [0,1,0,1,0,0|1,0,1]=4 671 B6R1.1 C1CNCCN1 CHEBI:28568 [0,1,0,1,0,0|1,0,0]=3 672 B6R1.1 C1CNNCN1 CHEBI:38041 [0,1,0,1,0,0|2,0,0]=4 673 B6R1.1 C1CNNNC1 CHEBI:38040 [0,1,0,1,0,0|2,0,0]=4 674 B6R1.1 C1COCCN1 CHEBI:34856 [0,1,0,1,0,0|0,0,0]=2 675 B6R1.1 C1COCCO1 CHEBI:47032 [0,1,0,1,0,0|0,0,0]=2 676 B6R1.1 C1COCOC1 CHEBI:46924 [0,1,0,1,0,0|0,0,0]=2 677 B6R1.1 C1COCSC1 CHEBI:87341 [0,1,0,1,0,0|0,0,0]=2 678 B6R1.1 C1CSCCN1 CHEBI:36392 [0,1,0,1,0,0|0,1,0]=3 679 B6R1.1 C1CSCCS1 CHEBI:540 [0,1,0,1,0,0|0,1,0]=3 680 B6R1.1 C1CSCSC1 CHEBI:47845 [0,1,0,1,0,0|0,1,0]=3 681 B6R1.1 C1CSSCS1 CHEBI:39197 [0,1,0,1,0,0|1,1,0]=4 682 B6R1.1 C1CSSSC1 CHEBI:39194 [0,1,0,1,0,0|1,1,0]=4 683 B6R1.1 C1NCNCN1 CHEBI:38027 [0,1,0,1,0,0|2,0,0]=4 684 B6R1.1 C1NCSCN1 CHEBI:38492 [0,1,0,1,0,0|1,1,0]=4 685 B6R1.1 C1OCOCO1 CHEBI:38043 [0,1,0,1,0,0|1,0,0]=3 686 B6R1.1 C1SCSCS1 CHEBI:39196 [0,1,0,1,0,0|1,1,0]=4 687 B6R1.7 C[C@]1(CO1)C=C CHEBI:131720 [0,1,0,1,0,0|0,0,2]=4 688 B6R2.4 C1CC2C1C2 CHEBI:49287 [0,0,0,2,0,0|1,0,0]=3 689 B6R2.4 C1C[C@@H]2[C@H]1C2 CHEBI:49288 [0,0,0,2,0,0|1,0,0]=3