0 B10R0.3 CC(C)CCC[C@H](C)CC=O AB7058 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [1,0,0,0,0,0|0,0,0]=1 2 B9R0.5 CCCCC[C@H](O)CCO A10789 [1,0,0,0,0,0|1,0,0]=2 3 B11R0.180 C[C@H](CCO)CCCC(C)(C)O D92866 [0,1,0,0,0,0|0,0,0]=1 4 B11R1.424 CC1=C(CO)C(C)(C)CCC1 W17219 [0,0,0,1,0,0|0,0,2]=3 5 B8R0.7 CN(C)CCCCCN AC2504 [2,0,0,0,0,0|2,0,0]=4 6 B8R0.7 CN(C)CCOCCO D77714 [2,0,0,0,0,0|2,0,0]=4 7 B8R0.28 CC(C)OCOC(C)C D93413 [2,0,0,0,0,0|2,0,0]=4 8 B8R0.4 COCCCCCCBr S10679 [2,0,0,0,0,0|2,0,0]=4 9 B8R0.4 NCCCOCCCO D84663 [2,0,0,0,0,0|2,0,0]=4 10 B8R0.4 OCCCOCCCO AT19326 [2,0,0,0,0,0|2,0,0]=4 11 B8R0.1 CCCC[C@H](C)CCO D93301 [2,0,0,0,0,0|0,0,0]=2 12 B8R0.1 CCC[C@H](C)CCCO A12859 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.1 COCCN(C)CCO F18234 [2,0,0,0,0,0|2,0,0]=4 14 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [1,1,0,0,0,0|2,0,0]=4 15 B10R0.22 CCCCCCOC(C)(C)C D93010 [1,1,0,0,0,0|2,0,0]=4 16 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [1,1,0,0,0,0|1,0,0]=3 17 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [1,0,0,1,0,0|1,0,0]=3 18 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [1,0,0,1,0,0|1,0,0]=3 19 B10R1.13 CN(C)C1CCC(N)CC1 25878 [1,0,0,1,0,0|2,0,0]=4 20 B10R1.13 CN(C)[C@H]1CC[C@@H](O)CC1 20906 [1,0,0,1,0,0|2,0,0]=4 21 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 20835 [1,0,0,1,0,0|2,0,0]=4 22 B10R1.171 CC1(C)CCC[C@H](CN)C1 54102 [1,0,0,1,0,0|1,0,0]=3 23 B10R1.171 CC1(C)CNC[C@H](CO)O1 62005 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.171 CC1(C)CNC[C@H](CO)O1 69552 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.171 CC1(C)CNC[C@H](CO)O1 69560 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.171 CC1(C)CNC[C@H](CO)O1 69564 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.171 CC1(C)C[C@@H](CBr)CCO1 54910 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.171 CC1(C)C[C@@H](CN)CCO1 52507 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.171 CC1(C)C[C@@H](CN)CCO1 65984 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.171 CCN1CCNC(C)(C)C1 Y11100 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.171 OC[C@H]1CCCC(F)(F)C1 P19049 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.10 CN1CCC[C@H](CCN)C1 P11330 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.10 CN1CCC[C@H](CCO)C1 P11620 [1,0,0,1,0,0|1,0,0]=3 34 B10R1.18 CC(C)C[C@H]1COCCN1 77681 [1,0,0,1,0,0|2,0,0]=4 35 B10R1.18 CN(C)CC1CCCCC1 78298 [1,0,0,1,0,0|2,0,0]=4 36 B10R1.61 CC(C)C1CCCCC1O C77548 [1,0,0,1,0,0|0,0,0]=2 37 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C15575 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N F16515 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.11 C[C@@H](CCN)N1CCCC1 D95061 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.11 C[C@@H](CCO)N1CCCC1 D82172 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.85 NCCN1CCCCCC1 52073 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.245 CC1CCCC(C)C1CO P18073 [1,0,0,1,0,0|0,0,0]=2 43 B10R1.377 NCCC1(O)CCCCC1 D96646 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.1 CN1CCC(CCN)CC1 30445 [0,0,0,1,1,0|2,0,0]=4 45 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,0,0,1,1,0|1,0,0]=3 46 B10R1.1 NCCC1CCC(O)CC1 T70309 [0,0,0,1,1,0|2,0,0]=4 47 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,0,0,1,1,0|1,0,1]=4 48 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,0,0,1,1,0|1,0,0]=3 49 B10R1.95 CC1(C)OC[C@H](CCO)O1 61345 [0,0,0,1,1,0|2,0,0]=4 50 B12R1.252 CN(C)CCCN1CCOCC1 73897 [0,1,0,1,0,0|2,0,0]=4 51 B12R1.57 CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C D92904 [0,1,0,1,0,0|0,0,0]=2 52 B8R0.9 CC(C)NC[C@H](O)CO C16156 [1,0,0,0,1,0|2,0,0]=4 53 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,0,0,0,2,0|1,0,0]=3