0 B7R0.7 C(#N)CC(=O)OCC ACS015695 [0,0,0,0,0,0|1,0,1]=2 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|3,0,0]=3 3 B6R0.1 BrCC(=O)OCC ACS015691 [1,0,0,0,0,0|1,0,0]=2 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|1,0,0]=2 6 B6R0.1 ClCC(=O)OCC ACS015694 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 I\C=C\C(=O)OC ACS011459 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.1 N(=C=O)CC(=O)OCC ACS014110 [0,1,0,0,0,0|0,1,1]=3 9 B8R0.3 C(C)OC([C@@H](N)CS)=O ACS011389 [0,1,0,0,0,0|0,0,0]=1 10 B8R0.5 C(C)OC(CC(=N)N)=O ACS015701 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.5 C(CC(=O)C)(=O)OCC ACS015689 [0,1,0,0,0,0|0,1,1]=3 12 B8R0.5 C(OCCl)(OC(C)C)=O ACS012188 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.5 ClC(=O)CC(=O)OCC ACS011888 [0,1,0,0,0,0|0,1,1]=3 14 B8R0.5 NC(CC(=O)OCC)=O ACS019387 [0,1,0,0,0,0|0,1,1]=3 15 B8R0.5 O[C@@H](CC(=O)OCC)C ACS011594 [0,1,0,0,0,0|0,1,0]=2 16 B8R0.5 [N+](=O)([O-])CC(=O)OCC ACS015699 [0,1,0,0,0,0|1,1,0]=3 17 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 NC1CC(NCC1)=O ACF020997 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.37 C1(CC1)C(CC#N)=O ACS012041 [0,0,0,1,0,0|2,0,1]=4 22 B5R0.1 C(#N)CC(=O)O ACS015661 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.1 ClCCC(=O)O ACS015651 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 OCCC(=O)O ACS011495 [2,0,0,0,0,0|0,1,0]=3 25 B5R0.2 BrCCCOC ACS011423 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.2 CCCCCC ACS015704 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.3 C(NN)(=O)OC ACS011847 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.3 CNC(CCl)=O ACS012232 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.3 SCC(=O)OC ACS011380 [2,0,0,0,0,0|0,0,0]=2 30 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [1,1,0,0,0,0|0,1,1]=4 31 B7R0.2 COC(CC(=O)[O-])=O ACS015730 [1,1,0,0,0,0|0,1,1]=4 32 B7R0.2 [N+](=O)([O-])CC(=O)OC ACS015724 [1,1,0,0,0,0|1,1,0]=4 33 B7R0.3 COC(CCC=O)=O ACS024542 [1,1,0,0,0,0|0,1,0]=3 34 B7R0.5 BrC(C(=O)OCC)F ACF015692 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.5 CC(C(CC#N)=O)C ACS015725 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.5 ClC(C(=O)OCC)F ACF015693 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.5 FC(C(=O)OCC)F ACF024176 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [1,1,0,0,0,0|0,0,0]=2 39 B7R0.10 COC(C(N)CO)=O ACS011388 [1,1,0,0,0,0|0,1,0]=3 40 B9R0.5 C(C)OC=CC(=O)OCC ACS011523 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.35 C(C(=O)OCC)(=O)OCC ACS015670 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.35 C(C)OC(C(OCC)Cl)=O ACS015773 [0,2,0,0,0,0|1,0,0]=3 43 B9R0.48 C(C)OC(CCC(C)Cl)=O ACS024478 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.48 [N+](=O)([O-])CCC(=O)OCC ACS019127 [0,2,0,0,0,0|0,1,0]=3 45 B9R0.6 CCOC(=O)C(=O)C(C)C ACS015698 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.44 FC(CC(=O)OCC)(F)F ACF024183 [0,2,0,0,0,0|1,0,0]=3 47 B7R1.2 FC1CC(CC1)=O ACF022433 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.3 C1(C=CCCC1)=O ACS015663 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.3 C1(CCCCO1)=O ACS011950 [1,0,0,1,0,0|0,0,0]=2 50 B7R1.3 C=C1CCNCC1 ACS023714 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 N1C(CNCC1)=O ACS024008 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 N1CC(OCC1)=O ACS017222 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.3 N1CCC(CC1)=O ACS011072 [1,0,0,1,0,0|1,0,0]=3 54 B7R1.3 O1C(COCC1)=O ACS011667 [1,0,0,1,0,0|0,1,0]=3 55 B7R1.3 S1CCC(CC1)=O ACS024121 [1,0,0,1,0,0|0,0,0]=2 56 B7R1.4 CN1C(CCC1)=O ACS015379 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [1,0,0,1,0,0|1,1,0]=4 58 B7R1.22 BrCC(=O)C1CC1 ACS015800 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.22 C1(CC1)C(=O)OC ACS015615 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.24 C1CNCCOC1 ACS024038 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.24 N1CCOCCC1 ACS023784 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.73 C1(CCC1)C(=O)OCC ACS015616 [0,1,0,1,0,0|1,0,0]=3 63 B9R1.66 CC1(OCCC(C1)=O)C ACS023913 [0,1,0,1,0,0|1,1,0]=4 64 B9R1.66 FC1(CC(CCC1)=O)F ACF021886 [0,1,0,1,0,0|2,0,0]=4