0 B10R0.74 CCCCCCCC(=O)CC CHEBI:87309 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.74 CCCCCCCC(=O)OC CHEBI:87432 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.74 CCCCCCOC(=O)CC CHEBI:87549 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.74 CC\C=C/CCOC(=O)OC CHEBI:132845 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.74 [*]SC(=O)CCCCCCC CHEBI:7725 [0,0,0,0,0,0|1,1,2]=4 5 B9R0.2 C(CCCO)CCC(=O)O CHEBI:79112 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.2 C(CCO)C\C=C\C(=O)O CHEBI:79161 [1,0,0,0,0,0|1,0,2]=4 7 B9R0.2 CCCCCC#CC(=O)O CHEBI:60295 [1,0,0,0,0,0|0,0,0]=1 8 B9R0.2 CCCCCCCC(=O)C CHEBI:77927 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.2 CCCCCCCC(=O)O CHEBI:28837 [1,0,0,0,0,0|0,0,2]=3 10 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:132100 [1,0,0,0,0,0|0,0,3]=4 11 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:25646 [1,0,0,0,0,0|0,0,3]=4 12 B9R0.2 CCCCCCOC(=O)C CHEBI:87510 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.2 CCCCCSCC(=O)O CHEBI:65241 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.2 CCCCC\C=C\C(=O)C CHEBI:133457 [1,0,0,0,0,0|0,0,2]=3 15 B9R0.2 CCCCC\C=C\C(=O)O CHEBI:86544 [1,0,0,0,0,0|0,0,2]=3 16 B9R0.2 CCOCCCOC(=O)C CHEBI:87294 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 CCOCCOCC(=O)O CHEBI:131424 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.46 CCCCCOC(=O)CC CHEBI:87373 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.4 CCCCCCCC(=O)OCC CHEBI:87426 [0,1,0,0,0,0|0,0,2]=3 20 B11R0.4 CCCCCCOC(=O)CCC CHEBI:87559 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.4 CCCCC\C=C\C(=O)OCC CHEBI:87325 [0,1,0,0,0,0|0,0,2]=3 22 B11R0.40 CCCCCCC#CC(=O)OC CHEBI:51749 [0,1,0,0,0,0|0,0,0]=1 23 B11R0.40 CCCCCCCCC(=O)OC CHEBI:44499 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.59 COC(=O)N1CCCC1CO CHEBI:70831 [0,0,0,1,0,0|2,0,1]=4 25 B8R0.4 CCCCCCCC=O CHEBI:17935 [2,0,0,0,0,0|0,0,2]=4 26 B8R0.4 CCCCC\C=C\C=O CHEBI:61725 [2,0,0,0,0,0|0,0,2]=4 27 B8R0.4 CCCCC\C=C\C=O CHEBI:61748 [2,0,0,0,0,0|0,0,2]=4 28 B8R0.7 C(CCC(=O)O)CCBr CHEBI:60700 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.7 C(CCC(=O)O)CCN CHEBI:16586 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.7 C(CCC(=O)O)CCN CHEBI:79212 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.7 C(CCC(=O)O)CCO CHEBI:17869 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.7 CC(=O)NCCCCN CHEBI:17768 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.7 CC(=O)NCCCC[NH3+] CHEBI:58263 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 CC(=O)OCCCSC CHEBI:87281 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.7 CCCCCCC(=O)C CHEBI:87434 [2,0,0,0,0,0|0,0,1]=3 36 B8R0.7 CCCCCCC(=O)O CHEBI:45571 [2,0,0,0,0,0|0,0,1]=3 37 B8R0.7 CCCCCCC(=O)[O-] CHEBI:32362 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.7 CCCCCOC(=O)C CHEBI:87362 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.7 CCCC\C=C/C(=O)O CHEBI:38365 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.7 CCCC\C=C\C(=O)O CHEBI:36152 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.7 CCCC\C=C\C(=O)O CHEBI:38364 [2,0,0,0,0,0|0,0,2]=4 42 B8R0.7 CCCOCCC(=O)C CHEBI:132292 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.6 CCCCCC(=O)NC CHEBI:15860 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.6 CCCCCC(=O)OC CHEBI:77322 [2,0,0,0,0,0|0,0,0]=2 45 B10R0.3 CCCC(CCOC(=O)C)S CHEBI:77818 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.4 C(CCCC(=O)O)CCCO CHEBI:79162 [1,1,0,0,0,0|0,0,2]=4 47 B10R0.4 CCCCCCCCC(=O)C CHEBI:77929 [1,1,0,0,0,0|0,0,2]=4 48 B10R0.4 CCCCCCCCC(=O)O CHEBI:29019 [1,1,0,0,0,0|0,0,2]=4 49 B10R0.6 CCCCCC(=O)CC(=O)O CHEBI:44680 [1,1,0,0,0,0|0,0,2]=4 50 B10R0.6 CCCCCC(CC(=O)O)N CHEBI:73739 [1,1,0,0,0,0|0,0,2]=4 51 B10R0.6 CCCCCC(CC(=O)O)O CHEBI:37098 [1,1,0,0,0,0|0,0,2]=4 52 B10R0.6 CCCCC[C@@H](CC(=O)O)O CHEBI:37100 [1,1,0,0,0,0|0,0,2]=4 53 B10R0.6 CCCCC[C@H](CC(=O)O)O CHEBI:37099 [1,1,0,0,0,0|0,0,2]=4 54 B10R0.75 CCCCCCC(C(=O)O)N CHEBI:75145 [1,1,0,0,0,0|0,0,2]=4 55 B10R0.75 CCCCCCC(C(=O)O)O CHEBI:86543 [1,1,0,0,0,0|0,0,2]=4 56 B10R0.97 CC(C)CCCCCC(=O)O CHEBI:37108 [1,1,0,0,0,0|0,0,2]=4 57 B10R0.97 C[C@H](CCCCCC(=O)O)O CHEBI:78949 [1,1,0,0,0,0|0,0,2]=4 58 B10R0.97 C[C@H](CCC\C=C\C(=O)O)O CHEBI:78850 [1,1,0,0,0,0|0,0,2]=4 59 B10R0.83 COC(=O)[C@H](CCCCN)N CHEBI:21354 [1,1,0,0,0,0|1,0,1]=4 60 B12R0.1 CCCCCCCCC(=O)OCC CHEBI:87501 [0,2,0,0,0,0|0,0,2]=4 61 B12R0.1 CCCCC\C=C\CC(=O)OCC CHEBI:87312 [0,2,0,0,0,0|0,0,2]=4 62 B12R0.206 CCCCCCCC(=O)OCCC CHEBI:87374 [0,2,0,0,0,0|0,0,2]=4 63 B12R0.248 CCCCCCCCCC(=O)OC CHEBI:87658 [0,2,0,0,0,0|0,0,2]=4 64 B10R1.16 CCCCC1CC(=O)OC1 CHEBI:87416 [1,0,0,1,0,0|1,0,1]=4 65 B10R1.18 C1CCC(CC1)CC(=O)O CHEBI:37277 [1,0,0,1,0,0|0,0,2]=4 66 B10R1.66 C1CCC(C1)CCC(=O)O CHEBI:50899 [1,0,0,1,0,0|0,0,2]=4 67 B10R1.185 C1CCCCC#CCCC1 CHEBI:37817 [1,0,0,1,0,0|1,0,1]=4