0 B8R0.4 C(CCNCCN)CN CHEBI:44736 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.4 C(CN)CNCCCN CHEBI:16841 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.4 C(C[NH3+])C[NH2+]CCC[NH3+] CHEBI:57920 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.4 CCCCCCCC=C CHEBI:77443 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.4 CCCCCCCC=O CHEBI:17935 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.4 CCCCCCCCC CHEBI:32892 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.4 CCCCCCCCN CHEBI:7728 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.4 CCCCCCCCO CHEBI:16188 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.4 CCCCCCN=C=O CHEBI:59058 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 CCCCC\C=C\C=O CHEBI:61725 [0,0,0,0,0,0|0,0,4]=4 10 B8R0.4 CCCCC\C=C\C=O CHEBI:61748 [0,0,0,0,0,0|0,0,4]=4 11 B8R0.4 CCCC[SnH2]CCCC CHEBI:23686 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.4 CCOCCOCCO CHEBI:40572 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.4 COCCOCCOC CHEBI:46784 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.4 CSCCCC\C=N\O CHEBI:50700 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 C(CCCN)CCN CHEBI:39618 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.1 C(CCCO)CCO CHEBI:43078 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.1 C(CCN)CCNO CHEBI:50440 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.1 C(CN)CNCCS CHEBI:72583 [1,0,0,0,0,0|2,1,0]=4 19 B7R0.1 C(CO)CSCCO CHEBI:87679 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.1 C(CSSCCO)O CHEBI:43136 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.1 CCCCCCC=C CHEBI:46708 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.1 CCCCCCCC CHEBI:17590 [1,0,0,0,0,0|0,0,0]=1 23 B7R0.1 CCCCCON=O CHEBI:55344 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 CCCCOCCO CHEBI:63921 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.1 CCCSSCCC CHEBI:45758 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.1 CCNCCNCC CHEBI:182290 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 COCCOCCO CHEBI:44836 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.1 CSCCC\C=N\O CHEBI:50705 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.2 C(CCCO)CCC(=O)O CHEBI:79112 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.2 CCCCCC#CC(=O)O CHEBI:60295 [0,1,0,0,0,0|0,0,3]=4 31 B9R0.2 CCCCCCCC(=O)C CHEBI:77927 [0,1,0,0,0,0|0,0,2]=3 32 B9R0.2 CCCCCCCC(=O)O CHEBI:28837 [0,1,0,0,0,0|0,0,1]=2 33 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:132100 [0,1,0,0,0,0|0,0,2]=3 34 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:25646 [0,1,0,0,0,0|0,0,2]=3 35 B9R0.2 CCCCCCCC(C)O CHEBI:78304 [0,1,0,0,0,0|0,0,0]=1 36 B9R0.2 CCCCCCOC(=O)C CHEBI:87510 [0,1,0,0,0,0|1,0,2]=4 37 B9R0.2 CCCCCSCC(=O)O CHEBI:65241 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.2 CCCCC\C=C\C(=O)O CHEBI:86544 [0,1,0,0,0,0|0,0,3]=4 39 B9R0.2 CCOCCOCC(=O)O CHEBI:131424 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.2 COCCOCCC(=O)O CHEBI:67254 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.5 CCCCCC(=O)OCC CHEBI:86055 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.5 CCCCOC(=O)CCC CHEBI:87429 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.5 CCCCOC(C)OCC CHEBI:87383 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.45 C#CCCCCCCC#C CHEBI:37823 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.45 C(CC=O)CNCCCN CHEBI:51824 [0,1,0,0,0,0|1,0,2]=4 46 B9R0.45 C(CC=O)C[NH2+]CCC[NH3+] CHEBI:58869 [0,1,0,0,0,0|1,0,2]=4 47 B9R0.45 C(CCCCN)CCCN CHEBI:73112 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.45 C(CCCCO)CCCO CHEBI:44630 [0,1,0,0,0,0|0,0,0]=1 49 B9R0.45 C(CCNCCCN)CN CHEBI:16610 [0,1,0,0,0,0|2,0,0]=3 50 B9R0.45 C(CC[NH2+]CCC[NH3+])C[NH3+] CHEBI:57834 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.45 C(CNCCNCCN)N CHEBI:39501 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.45 C(COCCOCCO)O CHEBI:44926 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.45 C(C\C=N\CCCN)CN CHEBI:48007 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.45 C(C\C=[NH+]\CCC[NH3+])C[NH3+] CHEBI:58732 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.45 CCCCCCCCC#C CHEBI:87322 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.45 CCCCCCCCC=C CHEBI:87315 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.45 CCCCCCCCC=O CHEBI:84268 [0,1,0,0,0,0|0,0,1]=2 58 B9R0.45 CCCCCCCCCC CHEBI:41808 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.45 CCCCCCCCCO CHEBI:35986 [0,1,0,0,0,0|0,0,0]=1 60 B9R0.45 CCCCCCCCOO CHEBI:25644 [0,1,0,0,0,0|0,0,0]=1 61 B9R0.45 CCCCCC\C=C\C=O CHEBI:61726 [0,1,0,0,0,0|0,0,3]=4 62 B9R0.45 CSCCCCC\C=N\O CHEBI:50701 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.46 CCCC#CCC(CC)O CHEBI:131369 [0,1,0,0,0,0|1,0,2]=4 64 B9R0.46 CCCCCCC(CO)O CHEBI:34056 [0,1,0,0,0,0|0,0,0]=1 65 B9R0.46 CCCCCC[C@@H](CO)O CHEBI:37873 [0,1,0,0,0,0|0,0,0]=1 66 B9R0.46 CCCCCC[C@H](CO)O CHEBI:37874 [0,1,0,0,0,0|0,0,0]=1 67 B9R0.46 CCCCCOC(=O)CC CHEBI:87373 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.46 CCCC[SnH2]CC(CC)O CHEBI:22841 [0,1,0,0,0,0|2,0,0]=3 69 B9R0.46 CC[C@H](C)CCCCCO CHEBI:83010 [0,1,0,0,0,0|0,0,0]=1 70 B9R1.5 C1CCOC(=O)C(C1)O CHEBI:31046 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.5 CC1CCCCOC1=O CHEBI:663 [0,0,0,1,0,0|1,0,2]=4 72 B9R1.8 C1CCC(CC1)N=C=O CHEBI:136604 [0,0,0,1,0,0|1,0,2]=4 73 B9R1.8 C1CCC(CC1)NC=O CHEBI:17945 [0,0,0,1,0,0|1,0,2]=4 74 B9R1.8 C1CCN(CC1)CCO CHEBI:61238 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.8 C1COCCN1CCO CHEBI:67144 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.8 CCC[C@H]1CCCCN1 CHEBI:28322 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.12 C1CC=[N+](C1)CCCN CHEBI:18961 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.12 CCCCC1CCCO1 CHEBI:39028 [0,0,0,1,0,0|0,0,0]=1 79 B9R1.103 C1CCCC#CCCC1 CHEBI:37816 [0,0,0,1,0,0|1,0,1]=3 80 B9R1.103 C1CNCCNCCN1 CHEBI:37405 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.103 C1COCCOCCO1 CHEBI:32400 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.103 C1CSCCSCCS1 CHEBI:37418 [0,0,0,1,0,0|2,1,0]=4 83 B6R0.6 C(CCN)CCN CHEBI:18127 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.6 C(CCN)CCN CHEBI:64701 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.6 C(CCNO)CN CHEBI:50435 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.6 C(CC[NH3+])CC[NH3+] CHEBI:58384 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.6 C(CO)NCCO CHEBI:28123 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.6 C(CO)[NH2+]CCO CHEBI:63877 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.6 C(COCCO)O CHEBI:46807 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.6 C(CSCCO)O CHEBI:75184 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.6 CCCCCC=O CHEBI:88528 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.6 CCCCCCC CHEBI:43098 [2,0,0,0,0,0|0,0,0]=2 93 B6R0.6 CCCCCCN CHEBI:5712 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.6 CCCCCCO CHEBI:87393 [2,0,0,0,0,0|0,0,0]=2 95 B6R0.6 CCOCCCO CHEBI:87489 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.6 CC\C=C/CCO CHEBI:28857 [2,0,0,0,0,0|0,0,2]=4 97 B6R0.6 CNCCCCN CHEBI:17166 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.6 C[NH2+]CCCC[NH3+] CHEBI:58039 [2,0,0,0,0,0|2,0,0]=4 99 B8R0.1 CCCC(=O)NCCO CHEBI:85304 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.1 CCCSS(=O)CCC CHEBI:91021 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.6 CCCCCC(=O)NC CHEBI:15860 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.6 CCCCCC(=O)OC CHEBI:77322 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.6 CCCCCC(C=C)O CHEBI:34118 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.6 CCCCCC(CC)O CHEBI:80945 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.6 CCCCC[C@@H](C=C)O CHEBI:46735 [1,1,0,0,0,0|0,0,2]=4 106 B8R0.6 CCCCC[C@H](C=C)O CHEBI:39932 [1,1,0,0,0,0|0,0,2]=4 107 B8R0.6 CCCOCC(=O)CO CHEBI:37553 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.7 C(CCC(=O)O)CCBr CHEBI:60700 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.7 C(CCC(=O)O)CCN CHEBI:16586 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.7 C(CCC(=O)O)CCN CHEBI:79212 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.7 C(CCC(=O)O)CCO CHEBI:17869 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.7 C(CCC(=O)[O-])CCO CHEBI:32383 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.7 CC(CCCCC=C)O CHEBI:87586 [1,1,0,0,0,0|0,0,2]=4 114 B8R0.7 CC(COCCOC)N CHEBI:63044 [1,1,0,0,0,0|2,0,0]=4 115 B8R0.7 CCCCCCC(=O)C CHEBI:87434 [1,1,0,0,0,0|0,0,1]=3 116 B8R0.7 CCCCCCC(=O)O CHEBI:45571 [1,1,0,0,0,0|0,0,1]=3 117 B8R0.7 CCCCCCC(=O)[O-] CHEBI:32362 [1,1,0,0,0,0|0,0,2]=4 118 B8R0.7 CCCCCCC(C)O CHEBI:37869 [1,1,0,0,0,0|0,0,0]=2 119 B8R0.7 CCCCCC[C@@H](C)O CHEBI:37871 [1,1,0,0,0,0|0,0,0]=2 120 B8R0.7 CCCCCC[C@H](C)O CHEBI:37870 [1,1,0,0,0,0|0,0,0]=2 121 B8R0.7 CCCCCOC(=O)C CHEBI:87362 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.7 CCCOCCC(=O)C CHEBI:132292 [1,1,0,0,0,0|1,0,1]=4 123 B10R0.3 CC(CCC=C(C)C)CCO CHEBI:50462 [0,2,0,0,0,0|0,0,2]=4 124 B10R0.3 C[C@@H](CCC=C(C)C)CCO CHEBI:88 [0,2,0,0,0,0|0,0,2]=4 125 B10R0.3 C[C@H](CCC=C(C)C)CCO CHEBI:10360 [0,2,0,0,0,0|0,0,2]=4 126 B10R0.4 C(CCCC(=O)O)CCCO CHEBI:79162 [0,2,0,0,0,0|0,0,1]=3 127 B10R0.4 CCCCCCCCC(=O)C CHEBI:77929 [0,2,0,0,0,0|0,0,1]=3 128 B10R0.4 CCCCCCCCC(=O)O CHEBI:29019 [0,2,0,0,0,0|0,0,0]=2 129 B10R0.4 CCCCCCCCC(=O)[O-] CHEBI:32361 [0,2,0,0,0,0|0,0,1]=3 130 B10R0.4 CS(=O)CCCCCCCN CHEBI:91155 [0,2,0,0,0,0|1,0,0]=3 131 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N CHEBI:41030 [0,2,0,0,0,0|1,0,1]=4 132 B10R0.6 CCCCCC(=O)CC(=O)O CHEBI:44680 [0,2,0,0,0,0|0,0,2]=4 133 B10R0.6 CCCCCC(CC(=O)O)N CHEBI:73739 [0,2,0,0,0,0|0,0,1]=3 134 B10R0.6 CCCCCC(CC(=O)O)O CHEBI:37098 [0,2,0,0,0,0|0,0,1]=3 135 B10R0.6 CCCCCC(CC(=O)[O-])O CHEBI:133511 [0,2,0,0,0,0|0,0,2]=4 136 B10R0.6 CCCCC[C@@H](CC(=O)O)O CHEBI:37100 [0,2,0,0,0,0|0,0,1]=3 137 B10R0.6 CCCCC[C@H](CC(=O)O)O CHEBI:37099 [0,2,0,0,0,0|0,0,1]=3 138 B10R0.74 CCCCCCCC(=O)CC CHEBI:87309 [0,2,0,0,0,0|1,0,0]=3 139 B10R0.74 CCCCCCCC(=O)OC CHEBI:87432 [0,2,0,0,0,0|0,0,1]=3 140 B10R0.74 CCCCCCOC(=O)CC CHEBI:87549 [0,2,0,0,0,0|1,0,1]=4 141 B10R0.74 [*]SC(=O)CCCCCCC CHEBI:7725 [0,2,0,0,0,0|0,0,2]=4 142 B10R0.75 CCCCCCC(C(=O)O)N CHEBI:75145 [0,2,0,0,0,0|0,0,1]=3 143 B10R0.75 CCCCCCC(C(=O)O)O CHEBI:86543 [0,2,0,0,0,0|0,0,1]=3 144 B10R0.75 CCCCCCC(C(=O)[O-])O CHEBI:133514 [0,2,0,0,0,0|0,0,2]=4 145 B10R0.75 CCCCCCC(C(=O)[O-])[NH3+] CHEBI:133660 [0,2,0,0,0,0|0,0,2]=4 146 B10R0.75 CNCCCCC(C(=O)O)N CHEBI:64349 [0,2,0,0,0,0|1,0,1]=4 147 B10R0.75 CNCCCC[C@@H](C(=O)O)N CHEBI:17604 [0,2,0,0,0,0|1,0,1]=4 148 B10R0.75 CSCCCCC(C(=O)O)N CHEBI:50710 [0,2,0,0,0,0|1,0,1]=4 149 B10R0.97 CC(C)CCCCCC(=O)O CHEBI:37108 [0,2,0,0,0,0|0,0,1]=3 150 B10R0.97 C[C@H](CCCCCC(=O)O)O CHEBI:78949 [0,2,0,0,0,0|0,0,1]=3 151 B10R0.1 CCCCCCC(=O)OCC CHEBI:86618 [0,2,0,0,0,0|1,0,1]=4 152 B10R0.1 CCCCCOC(=O)CCC CHEBI:87684 [0,2,0,0,0,0|1,0,1]=4 153 B10R0.1 CCCCCOC(C)OCC CHEBI:87272 [0,2,0,0,0,0|2,0,0]=4 154 B10R0.1 CCC\C=C\CC(C)CCC CHEBI:84218 [0,2,0,0,0,0|1,0,1]=4 155 B10R0.91 CC(COCCO)OCCO CHEBI:53515 [0,2,0,0,0,0|2,0,0]=4 156 B10R0.91 CCCCC(=O)[Se]CCCC CHEBI:87297 [0,2,0,0,0,0|1,0,1]=4 157 B10R0.91 CCCCCC(=O)NCCO CHEBI:85303 [0,2,0,0,0,0|0,0,1]=3 158 B10R0.91 CCCCCC(=O)OCCC CHEBI:87365 [0,2,0,0,0,0|1,0,1]=4 159 B10R0.91 CCCCCC(C)CCC=C CHEBI:84252 [0,2,0,0,0,0|1,0,0]=3 160 B10R0.108 CCCC(=O)OCC(CO)O CHEBI:76503 [0,2,0,0,0,0|1,0,1]=4 161 B10R0.71 C(CCN)CCNCCCN CHEBI:64860 [0,2,0,0,0,0|1,0,0]=3 162 B10R0.71 C(CCNCCCCN)CN CHEBI:16554 [0,2,0,0,0,0|1,0,0]=3 163 B10R0.71 C(CC[NH2+]CCCC[NH3+])C[NH3+] CHEBI:57811 [0,2,0,0,0,0|1,0,0]=3 164 B10R0.71 C(CC[NH3+])CC[NH2+]CCC[NH3+] CHEBI:64858 [0,2,0,0,0,0|1,0,0]=3 165 B10R0.71 C(CNCCN)CNCCN CHEBI:30348 [0,2,0,0,0,0|2,0,0]=4 166 B10R0.71 C(CNCCN)CNCCN CHEBI:30350 [0,2,0,0,0,0|2,0,0]=4 167 B10R0.71 CCCCCCCCCC#C CHEBI:87545 [0,2,0,0,0,0|1,0,0]=3 168 B10R0.71 CCCCCCCCCC=C CHEBI:77444 [0,2,0,0,0,0|1,0,0]=3 169 B10R0.71 CCCCCCCCCC=O CHEBI:31457 [0,2,0,0,0,0|0,0,1]=3 170 B10R0.71 CCCCCCCCCCC CHEBI:46342 [0,2,0,0,0,0|1,0,0]=3 171 B10R0.71 CCCCCCCCCCO CHEBI:28903 [0,2,0,0,0,0|0,0,0]=2 172 B10R0.71 CCCCCCCCOC=O CHEBI:87496 [0,2,0,0,0,0|0,0,0]=2 173 B10R0.71 CCCCCCC\C=C\C=O CHEBI:133455 [0,2,0,0,0,0|0,0,2]=4 174 B10R0.71 CCCCCCC\C=C\C=O CHEBI:61727 [0,2,0,0,0,0|0,0,2]=4 175 B10R0.71 CCOCCOCCOCC CHEBI:44664 [0,2,0,0,0,0|2,0,0]=4 176 B10R0.71 COCCOCCOCCO CHEBI:84233 [0,2,0,0,0,0|1,0,0]=3 177 B10R0.71 CSCCCCCCCCN CHEBI:91159 [0,2,0,0,0,0|0,1,0]=3 178 B10R0.71 CSCCCCCC\C=N\O CHEBI:50702 [0,2,0,0,0,0|0,0,1]=3 179 B8R1.2 C#[N+]C1CCCCC1 CHEBI:58334 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.2 CCN1CCCCC1 CHEBI:39017 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.2 CNC1CCCCC1 CHEBI:59018 [1,0,0,1,0,0|1,0,0]=3 182 B8R1.2 [C-]#[N+]C1CCCCC1 CHEBI:17966 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.5 C1CCC(=O)C(C1)O CHEBI:17878 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.5 C1CCC(C(C1)O)O CHEBI:24567 [1,0,0,1,0,0|1,0,0]=3 185 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O CHEBI:32329 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.5 C1CC[C@H]([C@@H](C1)O)O CHEBI:16931 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.8 C1CCN(C1)CCO CHEBI:48293 [1,0,0,1,0,0|1,0,0]=3 188 B8R1.8 C1CC[NH+](C1)CCO CHEBI:48312 [1,0,0,1,0,0|1,0,0]=3 189 B8R1.8 COC[C@@H]1CCCN1 CHEBI:131426 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.22 C1CCC(=O)OCC1 CHEBI:17915 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.49 C1CCCC#CCC1 CHEBI:37815 [1,0,0,1,0,0|0,0,2]=4 192 B8R1.49 C1CCCNCCC1 CHEBI:38792 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.49 C1CCC\C=C\CC1 CHEBI:73156 [1,0,0,1,0,0|0,0,2]=4 194 B10R1.10 CCCC1CCOC(S1)C CHEBI:87335 [0,1,0,1,0,0|1,1,0]=4 195 B10R1.18 C1CCC(CC1)CC(=O)O CHEBI:37277 [0,1,0,1,0,0|0,0,1]=3 196 B10R1.61 C1CCC(C(C1)C(=O)O)O CHEBI:37377 [0,1,0,1,0,0|1,0,1]=4 197 B10R1.66 C1CCC(C1)CCC(=O)O CHEBI:50899 [0,1,0,1,0,0|0,0,1]=3 198 B10R1.11 CCCC(C)C1CCCC1 CHEBI:87290 [0,1,0,1,0,0|1,0,0]=3 199 B10R1.4 CCC[C@H]1CCCCN1C CHEBI:32 [0,1,0,1,0,0|1,0,0]=3 200 B10R1.17 C1COCCN1CCCN CHEBI:86554 [0,1,0,1,0,0|2,0,0]=4 201 B10R1.185 C1CCCCC#CCCC1 CHEBI:37817 [0,1,0,1,0,0|1,0,0]=3 202 B10R1.2 C1CN[C@@H]([C@H]([C@H]1O)O)CO CHEBI:132399 [0,1,0,1,0,0|2,0,0]=4 203 B10R2.7 C1CC2NCCCN2C1 CHEBI:73949 [0,0,0,2,0,0|2,0,0]=4 204 B10R2.7 C1CCC2CCCC2C1 CHEBI:49301 [0,0,0,2,0,0|1,0,0]=3 205 B10R2.7 C1CC[C@@H]2CCC[C@H]2C1 CHEBI:49309 [0,0,0,2,0,0|1,0,0]=3 206 B10R2.7 C1CC[C@H]2CCC[C@@H]2C1 CHEBI:49308 [0,0,0,2,0,0|1,0,0]=3 207 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 CHEBI:49306 [0,0,0,2,0,0|1,0,0]=3 208 B10R2.62 C1[C@@H]2C(C[N@](C1)CC2)O CHEBI:115239 [0,0,0,2,0,0|1,0,0]=3 209 B10R2.41 CN1[C@@H]2CCC[C@H]1CC2 CHEBI:35615 [0,0,0,2,0,0|2,0,0]=4