0 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.47 CCCCOC(=O)C(O)O F17058 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.6 CNC(=O)OCCCN AT13711 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.6 COC(=O)NCCCN AT13710 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.8 C=C(C)C(=O)OCCBr T70933 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.8 CC(C)C(=O)CCC#N F51230 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.8 CCCC[C@H](C)C(C)C T70746 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.114 CC1(C)C(=O)CCC[C@@H]1O D90971 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.204 CN(C)C(=O)OC1CNC1 AT23016 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.262 CCO[C@H]1CC(=O)C1(C)C P12404 [0,0,0,1,0,0|3,0,0]=4 13 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|1,0,1]=4 14 B7R0.3 CCC(=O)OCOC D72002 [2,0,0,0,0,0|1,0,0]=3 15 B7R0.3 CCCC[C@H](N)CO D75114 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.3 CCCC[C@H](N)CO H10583 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.3 CCCNC(=O)CN C78397 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.3 CNC(=O)OCCO AT13707 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.3 COC(=O)CCCN 32601 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.4 CC(=O)NCCCN AR2174 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.4 CNCCNC(C)=O C77870 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.5 CCOC(=N)C(C)C W12825 [2,0,0,0,0,0|2,0,0]=4 23 B9R0.5 CCOC(=O)CCCNC AB10379 [1,1,0,0,0,0|2,0,0]=4 24 B9R0.34 CCC[C@H](N)CC(=O)OC N15477 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.46 CCOCCNC(=O)CCl A50975 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.46 COC(=O)COCCCO 56926 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.46 COCCCCC(=O)OC AC9127 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.7 CC(C)COC(=O)[C@H](C)N F52315 [1,1,0,0,0,0|1,0,0]=3 29 B9R0.7 CC(C)COC(=O)[C@H](C)N F52321 [1,1,0,0,0,0|1,0,0]=3 30 B11R0.165 CCCCCC(=O)OC(C)(C)C AC8549 [0,1,0,0,0,1|2,0,0]=4 31 B11R0.84 [2H]C([2H])([2H])C(=O)OCCC(C)C D99772 [0,2,0,0,0,0|2,0,0]=4 32 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [1,0,0,1,0,0|1,0,0]=3 33 B9R1.1 CNC1CCC(=O)CC1 AB9600 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.1 NC[C@H]1CNC(=O)CO1 W10862 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.1 O=C1CCC(CBr)CC1 C77512 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.11 CCC(=O)C1CCCC1 F53464 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.11 O=C(CBr)N1CCCC1 T71443 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.79 CNC(=O)OC1CNC1 AT23014 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.79 NCC(=O)NC1CCC1 98117 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.6 C[C@H](N)C1CCCCO1 79891 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.13 C[C@H](O)CN1CCCC1 AT24864 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.13 C[C@H](O)CN1CCCC1 AT24866 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.83 OCCCOC[C@H]1CO1 AT11748 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.148 C[C@]1(O)CNCCOC1 D84909 [1,0,0,1,0,0|1,0,1]=4 52 B11R1.484 CC(C)NC(=O)OC1CNC1 AT23017 [0,0,0,1,0,1|2,0,0]=4 53 B11R1.35 CC(C)C(=O)N[C@H]1CCNC1 F21060 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.35 C[C@H](N)C(=O)OC1CCCC1 96784 [0,1,0,1,0,0|1,0,0]=3 55 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 12344 [0,1,0,1,0,0|1,0,0]=3 56 B11R1.332 C[C@H](N)C(=O)OCC1CCC1 A50623 [0,1,0,1,0,0|1,0,0]=3 57 B11R1.293 CON(C)C(=O)CC1CCC1 96081 [0,1,0,1,0,0|2,0,0]=4 58 B11R2.8 O=C1OC2C=CCC2C1O C11351 [0,0,0,2,0,0|0,0,2]=4 59 B11R2.8 O=C1O[C@H]2C=CC[C@H]2[C@@H]1O E72601 [0,0,0,2,0,0|0,0,2]=4