0 B10R0.3 CC(C)=CCCC(C)CCO 35065 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 CC(C)CCCCCCBr 18956 [1,0,0,0,0,0|1,0,0]=2 2 B11R0.45 CCN(CCO)CCCC(C)N 35868 [0,1,0,0,0,0|2,0,0]=3 3 B11R0.180 CC(CC=O)CCCC(C)(C)O 35068 [0,1,0,0,0,0|0,0,2]=3 4 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 7972 [0,0,0,1,0,0|0,0,0]=1 5 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 32226 [0,0,0,1,0,0|0,0,0]=1 6 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 7968 [0,0,0,1,0,0|0,0,0]=1 7 B8R0.7 CCCCCCC(C)=O 26418 [2,0,0,0,0,0|1,0,1]=4 8 B8R0.7 CCCCCCC(C)O 21480 [2,0,0,0,0,0|1,0,0]=3 9 B8R0.7 CCCCCC[C@@H](C)N 6754 [2,0,0,0,0,0|1,0,0]=3 10 B8R0.7 CCCCCC[C@@H](C)O 6072 [2,0,0,0,0,0|1,0,0]=3 11 B8R0.7 CCCCCC[C@H](C)N 6748 [2,0,0,0,0,0|1,0,0]=3 12 B8R0.7 CCCCCC[C@H](C)O 17259 [2,0,0,0,0,0|1,0,0]=3 13 B8R0.7 CCCCCC[C@H](C)O 6073 [2,0,0,0,0,0|1,0,0]=3 14 B8R0.28 CC(C)CCCC(=O)O 36049 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.4 BrCCCCCCCBr 3887 [2,0,0,0,0,0|2,0,0]=4 16 B8R0.4 C#CCCCCCCC 13060 [2,0,0,0,0,0|1,0,1]=4 17 B8R0.4 CCCCC#CCCO 13072 [2,0,0,0,0,0|0,0,2]=4 18 B8R0.4 CCCCCC#CCO 13066 [2,0,0,0,0,0|0,0,2]=4 19 B8R0.4 CCCCCCCCI 3959 [2,0,0,0,0,0|1,0,0]=3 20 B8R0.4 CCCCC\C=C\CO 18916 [2,0,0,0,0,0|0,0,2]=4 21 B8R0.4 CCCOCCCCCl 1931 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.4 OCCCCCCCO 11489 [2,0,0,0,0,0|1,0,0]=3 23 B10R0.65 CCC(C)(O)CCCC(C)C 35062 [1,1,0,0,0,0|0,0,0]=2 24 B10R0.98 CC(C)CCC[C@H](N)C(=O)O 29990 [1,1,0,0,0,0|1,0,1]=4 25 B10R0.4 CCCCCCCCN(C)C 35306 [1,1,0,0,0,0|2,0,0]=4 26 B10R0.97 CC(C)CCSCCC(C)C 21970 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.13 CC(C)N1CCC(O)CC1 23719 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.171 CC1(C)CNC[C@@H](CO)O1 31689 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.171 CC1(C)CNC[C@H](CO)O1 31683 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.171 CC1(C)OCC[C@@H](CO)O1 20500 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.171 CC1(C)OCC[C@H](CO)O1 20501 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.18 CC(C)C[C@@H]1COCCN1 11413 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.18 CC(C)C[C@H]1COCCN1 11414 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.61 CC(C)C1CCCCC1=O 20246 [1,0,0,1,0,0|0,0,2]=4 35 B10R1.11 CN(CCO)[C@@H]1CCNC1 11394 [1,0,0,1,0,0|2,0,0]=4 36 B10R1.11 CN(CCO)[C@H]1CCNC1 11393 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.85 ClCCN1CCCCCC1 21389 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.85 NCCN1CCCCCC1 23366 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.377 CCCC1(O)CCCCC1 20383 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.1 CN1CCN(CCO)CC1 15876 [0,0,0,1,1,0|2,0,0]=4 41 B10R1.95 CC1(C)OC[C@@H](CCO)O1 20499 [0,0,0,1,1,0|2,0,0]=4 42 B10R1.95 CC1(C)OC[C@H](CCO)O1 20498 [0,0,0,1,1,0|2,0,0]=4 43 B12R1.113 CC(C)N1CCN(CCO)CC1 14895 [0,1,0,1,0,0|2,0,0]=4