0 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [1,0,0,0,0,0|0,0,0]=1 1 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.1322 CC1(C)CCCC(C)(C)C1N F53550 [0,0,0,1,0,0|2,0,0]=3 3 B9R0.64 C#C[C@@](C)(O)CCC(C)C F17036 [0,0,0,0,1,0|0,0,2]=3 4 B8R0.6 C#C[C@@H](O)CCCCC 51060 [2,0,0,0,0,0|0,0,2]=4 5 B8R0.6 C#C[C@@H](O)CCCCC T72294 [2,0,0,0,0,0|0,0,2]=4 6 B8R0.6 CC[C@H](C)CCCCO T72651 [2,0,0,0,0,0|1,0,0]=3 7 B8R0.7 CNCCCCN(C)C F51688 [2,0,0,0,0,0|2,0,0]=4 8 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [2,0,0,0,0,0|2,0,0]=4 9 B8R0.7 [2H][C@H](O)CCCCCC D99646 [2,0,0,0,0,0|2,0,0]=4 10 B8R0.28 C=C(C)CCCC(C)C T70747 [2,0,0,0,0,0|0,0,2]=4 11 B8R0.28 CC(C)CNCC(C)C A11894 [2,0,0,0,0,0|1,0,0]=3 12 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.25 CCCC[C@](C)(N)CO AT11270 [2,0,0,0,0,0|2,0,0]=4 14 B10R0.3 CCOC(C)COCC(C)O F20819 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.13 CC(C)[C@H]1CC[C@@H](N)CC1 D78627 [1,0,0,1,0,0|1,0,0]=3 16 B10R1.13 C[C@H](N)C1CCN(C)CC1 C77757 [1,0,0,1,0,0|2,0,0]=4 17 B10R1.13 OC1CCC(C(F)F)CC1 AT12694 [1,0,0,1,0,0|2,0,0]=4 18 B10R1.14 CC1CCN(C(C)CO)C1 96738 [1,0,0,1,0,0|2,0,0]=4 19 B10R1.14 C[C@H]1CCN([C@@H](C)CO)C1 96742 [1,0,0,1,0,0|2,0,0]=4 20 B10R1.14 C[C@H]1CCN([C@@H](C)CO)C1 96744 [1,0,0,1,0,0|2,0,0]=4 21 B10R1.14 C[C@H]1CCN([C@H](C)CO)C1 96741 [1,0,0,1,0,0|2,0,0]=4 22 B10R1.14 C[C@H]1CCN([C@H](C)CO)C1 96743 [1,0,0,1,0,0|2,0,0]=4 23 B10R1.171 CC1(C)CCC[C@H](C=O)C1 AT26803 [1,0,0,1,0,0|1,0,1]=4 24 B10R1.171 CC1(C)CNC[C@H](CO)O1 SC5117 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.171 CC1(C)COC[C@H](CI)O1 92524 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.171 CC1(C)COC[C@H](CN)O1 92526 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.171 CC[C@H]1COCC(C)(C)N1 F18850 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.26 CC1(C)CCC(CN)CC1 W18590 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.307 CC1(C)CNCC(C)(C)O1 F18919 [1,0,0,1,0,0|1,0,0]=3 30 B10R1.307 CC1(C)COCC(C)(C)N1 F18852 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.473 CN1CCC(O)(CN)CC1 C15383 [0,0,0,1,1,0|2,0,0]=4 32 B10R1.540 CC1(C)CCC(C)(C)C1N F53430 [0,0,0,1,1,0|2,0,0]=4 33 B12R1.2446 CC(C)NC1CC(CO)(CO)C1 D78996 [0,1,0,1,0,0|2,0,0]=4 34 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [1,0,0,0,1,0|2,0,0]=4 35 B8R0.9 CCC(C)CCC(C)N C14677 [1,0,0,0,1,0|1,0,0]=3 36 B8R0.29 CC(C)CCC(C)(C)C T72348 [1,0,0,0,1,0|1,0,0]=3 37 B8R0.29 CN(C)CCC(C)(C)N Y10201 [1,0,0,0,1,0|2,0,0]=4 38 B8R0.34 CC(C)C[C@](C)(N)CO AT19787 [0,0,0,0,2,0|2,0,0]=4 39 B8R0.34 CC(C)C[C@](C)(N)CO C90641 [0,0,0,0,2,0|2,0,0]=4