0 B7R0.6 C(CCC(C)C)(=O)Cl ACS011947 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 [N+](=O)(OCC(C)C)[O-] ACS017175 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.4 ClCCCC(=O)Cl ACS013379 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.23 CC(C(CC(C)=O)=O)C ACS015722 [0,1,0,0,0,0|1,0,1]=3 4 B8R1.3 FC1CCC(CC1)=O ACF021520 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.3 OC1CCC(CC1)=O ACS023854 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.23 FC1CC(C1)C(=O)O ACF021052 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.51 CC1(NC(NC1)=O)C ACS020017 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.51 FC1(CC(CC1)=O)F ACF022429 [0,0,0,1,0,0|3,0,0]=4 9 B6R0.2 CC(=CC(=O)O)C ACS012002 [0,0,0,0,1,0|1,0,2]=4 10 B6R0.2 FC(CC(=O)O)F ACF023578 [0,0,0,0,1,0|3,0,0]=4 11 B5R0.1 CC(CC=O)C ACS015719 [2,0,0,0,0,0|0,0,0]=2 12 B5R0.1 COCC(=O)N ACS015711 [2,0,0,0,0,0|2,0,0]=4 13 B5R0.1 ClCCC(=O)O ACS015651 [2,0,0,0,0,0|2,0,0]=4 14 B5R0.1 OCCC(=O)O ACS011495 [2,0,0,0,0,0|2,0,0]=4 15 B5R0.2 CCCCCC ACS015704 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.4 BrCCCCC(=O)O ACS015645 [1,1,0,0,0,0|2,0,0]=4 17 B7R0.4 C(C)(=O)OCC#CC ACS017188 [1,1,0,0,0,0|0,0,1]=3 18 B7R0.4 CC(C=CCCC)=O ACS011915 [1,1,0,0,0,0|1,0,0]=3 19 B7R0.4 ClCCOCC(=O)O ACS023943 [1,1,0,0,0,0|2,0,0]=4 20 B7R0.9 C(C(C)C)S(=O)(=O)Cl ACS013333 [0,1,0,0,1,0|2,0,0]=4 21 B7R0.9 C(C)(=O)OC(C)(C)C ACS024598 [0,1,0,0,1,0|0,0,0]=2 22 B7R0.9 CC(CC(=O)Cl)(C)C ACS012390 [0,1,0,0,1,0|1,0,0]=3 23 B7R0.9 CN(C)CC(C)(C)O ACS015678 [0,1,0,0,1,0|2,0,0]=4 24 B7R0.16 CC(C)C(C(=O)O)N ACS024385 [0,1,0,0,1,0|1,0,0]=3 25 B9R0.23 COC(C(CC(C)C)=O)=O ACS023857 [0,2,0,0,0,0|1,0,0]=3 26 B9R0.42 COC(CC(C(C)C)=O)=O ACS024434 [0,2,0,0,0,0|1,0,1]=4 27 B9R0.48 C(C)OC(CCC(C)Cl)=O ACS024478 [0,2,0,0,0,0|2,0,0]=4 28 B7R1.2 FC1CC(CC1)=O ACF022433 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.3 C1(C=CCCC1)=O ACS015663 [1,0,0,1,0,0|1,0,1]=4 30 B7R1.3 C1(CCCCO1)=O ACS011950 [1,0,0,1,0,0|0,0,0]=2 31 B7R1.3 C[C@@H]1NCCOC1 ACS011439 [1,0,0,1,0,0|1,0,1]=4 32 B7R1.3 C[C@@H]1NCCOC1 ACS011835 [1,0,0,1,0,0|1,0,1]=4 33 B7R1.3 C[C@H]1NCCOC1 ACS011438 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.3 C[C@H]1NCCOC1 ACS011837 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.3 N1C(CNCC1)=O ACS024008 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 N1CC(OCC1)=O ACS017222 [1,0,0,1,0,0|1,0,0]=3 37 B7R1.3 N1CCC(CC1)=O ACS011072 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 O1C(COCC1)=O ACS011667 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.3 S1CCC(CC1)=O ACS024121 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.20 C1(CC1)CC(=O)O ACS016976 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.16 FC1(CC(C1)=O)F ACF023002 [0,0,0,1,1,0|2,0,0]=4 42 B9R1.66 CC1(OCCC(C1)=O)C ACS023913 [0,0,0,1,0,1|1,0,0]=3 43 B9R1.1 OCC1CCC(CC1)=O ACS023829 [0,1,0,1,0,0|1,0,0]=3 44 B9R1.10 FC1(CCC(CC1)=O)F ACF022785 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.10 FC1(CCC(NC1)=O)F ACF023364 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.164 C[C@@]1(F)C[C@@H](C1)C(O)=O ACF023480 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.164 C[C@]1(F)C[C@@H](C1)C(O)=O ACF023481 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.164 FC1(CC(C1)C(=O)O)C ACF022686 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.164 FC1(CC(C1)C(C)=O)F ACF021860 [0,1,0,1,0,0|2,0,0]=4 50 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [0,0,0,0,2,0|1,0,0]=3 51 B5R0.5 CC(C(=O)O)Cl ACS010833 [0,0,0,0,2,0|2,0,0]=4 52 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [0,0,0,0,2,0|2,0,0]=4 53 B5R0.5 FC(C(=O)C)F ACF024170 [0,0,0,0,2,0|2,0,0]=4 54 B5R0.5 FC(C(=O)O)C ACF017008 [0,0,0,0,2,0|2,0,0]=4 55 B5R0.5 N[C@H](C)C(=O)O ACS011403 [0,0,0,0,2,0|2,0,0]=4