0 B7R0.7 C(#N)CC(=O)OCC ACS015695 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.7 C(C)OC(CNC)=O ACS011391 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 ClCCC(CCCl)=O ACS010355 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 BrCC(=O)OCC ACS015691 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.1 C(C)OC(CN)=O ACS015702 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 ClCC(=O)OCC ACS015694 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.6 BrCCCCCBr ACS015667 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 C(COCCO)O ACS015677 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 ClCCOCCCl ACS015653 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.1 BrC(CCC)CCCC ACS024467 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.1 N(=C=O)CC(=O)OCC ACS014110 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.3 C(C)OC([C@@H](N)CS)=O ACS011389 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.5 C(C)OC(CC(=N)N)=O ACS015701 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.5 C(CC(=O)C)(=O)OCC ACS015689 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.5 C(OCCl)(OC(C)C)=O ACS012188 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.5 ClC(=O)CC(=O)OCC ACS011888 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.5 NC(CC(=O)OCC)=O ACS019387 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.5 O[C@@H](CC(=O)OCC)C ACS011594 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.5 [N+](=O)([O-])CC(=O)OCC ACS015699 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.4 FC1CC(NCC1)C ACF021430 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 NC1CC(CCC1)O ACS011505 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.4 NC1CC(NCC1)=O ACF020997 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.11 C(C)[C@@H]1CNC[C@@H]1F ACF023448 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.22 C1CCNC[C@@H](C1)N ACS023752 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.22 FC1CCNCCC1 ACF021025 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.22 FC1CCNCCC1 ACF021026 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.37 C1(CC1)C(CC#N)=O ACS012041 [0,0,0,1,0,0|1,0,1]=3 31 B5R0.1 COCC(=O)N ACS015711 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 ClCCC(=O)O ACS015651 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 OCCC(=O)O ACS011495 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.2 BrCCCCBr ACS015666 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.2 BrCCCOC ACS011423 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.2 CCCCCC ACS015704 [2,0,0,0,0,0|0,0,0]=2 37 B5R0.2 COCCOC ACS015683 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.3 CNC(CCl)=O ACS012232 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 SCC(=O)OC ACS011380 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.3 COC(CCC=O)=O ACS024542 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.5 BrC(C(=O)OCC)F ACF015692 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.5 CC(C(CC#N)=O)C ACS015725 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.5 ClC(C(=O)OCC)F ACF015693 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.5 FC(C(=O)OCC)F ACF024176 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.10 COC(C(N)CO)=O ACS011388 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.1 BrCCCCCCBr ACS010553 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 CC(C=CCCC)=O ACS011915 [1,1,0,0,0,0|0,0,2]=4 50 B9R0.5 C(C)OC=CC(=O)OCC ACS011523 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.34 COCC(CC(=O)OC)=O ACS011351 [0,2,0,0,0,0|1,0,1]=4 52 B9R0.35 C(C(=O)OCC)(=O)OCC ACS015670 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.35 C(C)OC(C(OCC)Cl)=O ACS015773 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.48 C(C)OC(CCC(C)Cl)=O ACS024478 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.48 [N+](=O)([O-])CCC(=O)OCC ACS019127 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.6 CCOC(=O)C(=O)C(C)C ACS015698 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.23 COC(C(CC(C)C)=O)=O ACS023857 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.44 FC(CC(=O)OCC)(F)F ACF024183 [0,2,0,0,0,0|2,0,0]=4 59 B7R1.2 FC1CC(CC1)=O ACF022433 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.3 C1(C=CCCC1)=O ACS015663 [1,0,0,1,0,0|0,0,2]=4 61 B7R1.3 C1(CCCCO1)=O ACS011950 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.3 C=C1CCNCC1 ACS023714 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 N1C(CNCC1)=O ACS024008 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 N1CC(OCC1)=O ACS017222 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 N1CCC(CC1)=O ACS011072 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.3 O1C(COCC1)=O ACS011667 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 S1CCC(CC1)=O ACS024121 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.4 CN1C(CCC1)=O ACS015379 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.22 BrCC(=O)C1CC1 ACS015800 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.22 C1(CC1)C(=O)OC ACS015615 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.24 C1CNCCOC1 ACS024038 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.24 N1CCOCCC1 ACS023784 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.15 COC1C(NCCC1)=O ACS023717 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.48 C1(CC(CCCC1)=O)=O ACS011955 [0,1,0,1,0,0|0,0,1]=3 76 B9R1.73 C1(CCC1)C(=O)OCC ACS015616 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.117 FC1(CCC1)CCCO ACF022158 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.34 CC1CC(CC(C1)=O)=O ACS011622 [0,1,0,1,0,0|0,0,1]=3 79 B9R1.66 CC1(OCCC(C1)=O)C ACS023913 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.66 FC1(CC(CCC1)=O)F ACF021886 [0,1,0,1,0,0|1,0,0]=3