0 B8R0.9 CC(=O)NC[C@@H](C)CN T70216 [1,0,0,0,0,0|2,0,0]=3 1 B8R0.9 CCC(C)CCC(C)O D91466 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.9 CC[C@H](C)CCC(C)C T70586 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.11 CC[C@@H](CO)COS(C)(=O)=O D87458 [0,1,0,0,0,0|2,0,0]=3 4 B10R0.45 CCN(CC)CCC(=O)OC D91617 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.66 O=C(O)CCN1CCCC1 F11709 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.66 O=C(O)CSC1CCCC1 W18221 [0,0,0,1,0,0|3,0,0]=4 7 B8R0.16 C=C[C@H](CC)OC(C)=O D88448 [0,0,0,0,1,0|0,0,2]=3 8 B8R0.16 CCN(CC)CC(=O)O A50526 [0,0,0,0,1,0|2,0,0]=3 9 B7R0.3 CCCC[C@@H](C)CC D91318 [2,0,0,0,0,0|1,0,1]=4 10 B7R0.4 C=C(C)CCCCC D91350 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.4 CC(=O)NCCCO W12709 [2,0,0,0,0,0|2,0,0]=4 12 B7R0.4 CCOCCC(C)=O D90475 [2,0,0,0,0,0|2,0,0]=4 13 B7R0.4 COCCOC(=O)Cl D89328 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.6 CC(=O)COC(C)=O D88372 [2,0,0,0,0,0|1,0,1]=4 15 B7R0.6 CC(=O)\C=C\C(C)C D91593 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.6 CC(C)=CCC(C)C D89989 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.6 CC(C)CCC(=O)Cl D91586 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.6 CC(C)CO[N+](=O)[O-] 35924 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.12 C=CCN(CC)CC D89806 [2,0,0,0,0,0|1,0,1]=4 20 B9R0.48 CCC[C@H](C)CCC(C)=O D91303 [1,1,0,0,0,0|1,0,0]=3 21 B9R0.37 CCOC(=O)C(CC)CC F16749 [1,1,0,0,0,0|0,0,2]=4 22 B11R0.19 CCC(CC)OC(=O)CC(C)=O D88330 [0,1,0,0,0,1|1,0,1]=4 23 B11R0.164 CCCC[C@H](CC)COC(=O)Cl D87877 [0,2,0,0,0,0|1,0,0]=3 24 B9R1.1 CNC1CCC(=O)CC1 25123 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.49 CN1CCCC(=O)CC1 25775 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.12 O=CCCC1CCCC1 F16152 [1,0,0,1,0,0|1,0,0]=3 27 B9R1.2 CCC1CCCC(C)C1 D90512 [0,0,0,1,1,0|1,0,1]=4 28 B9R1.2 CCC1CCCC(O)C1 AC6164 [0,0,0,1,1,0|0,0,2]=4 29 B9R1.13 CC(=O)N[C@H]1CCNC1 D75567 [0,0,0,1,1,0|2,0,0]=4 30 B9R1.13 O=C(Cl)CC1CCCC1 F11901 [0,0,0,1,1,0|1,0,0]=3 31 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81442 [0,0,0,1,1,0|2,0,0]=4 32 B11R1.91 NC(=O)CCC1CCNCC1 C80035 [0,1,0,1,0,0|2,0,0]=4 33 B11R1.91 O=C(O)CC[C@H]1CCCCN1 33375 [0,1,0,1,0,0|2,0,0]=4 34 B11R1.91 O=C(O)CC[C@H]1CCCNC1 28918 [0,1,0,1,0,0|2,0,0]=4 35 B7R0.2 CC[C@H](C)CC(C)C D89783 [1,0,0,0,1,0|1,0,1]=4 36 B7R0.2 CC[C@H](C)OC(=O)Cl F11295 [1,0,0,0,1,0|1,0,0]=3 37 B7R0.15 CCC(CC)C(C)C T72698 [0,0,0,0,2,0|1,0,1]=4 38 B9R0.1 CC[C@H](C)CCOC(C)=O D88426 [1,0,0,0,0,1|0,0,0]=2