0 B7R0.7 COCC(=O)COC D12730 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 C=CC(=O)CCC H17062 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.1 CCOC(=O)CN A14488 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.1 CCO\C(C)=N/O H17707 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CNCC(=O)OC M5408 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.1 CCOC(=O)\C=C\CBr E1566 [0,1,0,0,0,0|0,0,0]=1 8 B8R0.3 CCOC(=O)C(C)CN A14614 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.3 CCOC(=O)C(N)C#N E14057 [0,1,0,0,0,0|1,0,2]=4 10 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.5 CCO\C(N)=C\C(=O)O A15455 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.11 C=CN1CCCC1=O P0980 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,0,0,1,0,0|1,0,1]=3 16 B5R0.1 CCCC(=O)O B18853 [2,0,0,0,0,0|0,0,2]=4 17 B5R0.1 CNCC(=O)O S18803 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.3 COC(=O)CN G18901 [2,0,0,0,0,0|1,0,1]=4 19 B7R0.2 COC(=O)\C=C(\C)N A18843 [1,1,0,0,0,0|0,0,0]=2 20 B7R0.3 COC(=O)\C=C\CBr M1565 [1,1,0,0,0,0|0,0,0]=2 21 B7R0.5 CCOC(=O)C(F)Br E1920 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.5 CCOC(=O)C(F)F E5215 [1,1,0,0,0,0|1,0,1]=4 23 B7R0.4 CCO\C=C\C(=N)N E16866 [1,1,0,0,0,0|1,0,0]=3 24 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,2,0,0,0,0|0,0,2]=4 25 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,2,0,0,0,0|0,0,2]=4 26 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,2,0,0,0,0|0,0,2]=4 27 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,2,0,0,0,0|0,0,2]=4 28 B9R0.34 CCOC(=O)C\C(N)=N\O H13133 [0,2,0,0,0,0|1,0,1]=4 29 B9R0.48 CCOC(=O)\C=C\C(=O)O F0286 [0,2,0,0,0,0|0,0,1]=3 30 B9R0.48 CCOC(=O)\C=C\N(C)C E12533 [0,2,0,0,0,0|0,0,0]=2 31 B9R0.6 CCOC(=O)[C@@H](N)C(C)C V8260 [0,2,0,0,0,0|0,0,2]=4 32 B9R0.44 CCOC(=O)CS(C)(=O)=O E7724 [0,2,0,0,0,0|1,0,1]=4 33 B9R0.53 C\C(N)=C\C(=O)OC(C)C I1588 [0,2,0,0,0,0|0,0,0]=2 34 B7R1.2 CC1=CC(=O)NN1 M2903 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.2 O=C1CCC(=O)C1 C13983 [1,0,0,1,0,0|1,0,1]=4 36 B7R1.3 O=C1C=CCCC1 C17765 [1,0,0,1,0,0|0,0,0]=2 37 B7R1.4 C=C1CCOC1=O M11697 [1,0,0,1,0,0|0,0,0]=2 38 B7R1.4 CN1SC=CC1=O M5023 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.4 O=C1OCCC1Br B11067 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.7 CCCC1=NC(C)=CN1 M17091 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.22 CC1=C(CBr)OC(=O)O1 B11099 [0,1,0,1,0,0|1,0,1]=4 42 B9R1.22 CC1=C(CCl)OC(=O)O1 M12377 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.22 CC1=C(CCl)OC(=O)O1 M12377 [0,1,0,1,0,0|1,0,1]=4 44 B9R1.27 CCC1=C(C)CNC1=O E5392 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.27 CCC1=C(C)NC=C1C D4108 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.73 CCOC(=O)C1CNC1 A19137 [0,1,0,1,0,0|0,0,2]=4 47 B9R1.37 CC1=C(O)C(=O)C(C)O1 H2641 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.37 CC1=C(O)C(=O)OC1C D6964 [0,1,0,1,0,0|0,0,0]=2 49 B9R1.74 CCOC(=O)C1(N)CC1 A18991 [0,1,0,1,0,0|0,0,2]=4 50 B9R1.34 CC1=CC(O)=CC(=O)O1 H5525 [0,1,0,1,0,0|0,0,2]=4 51 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.38 CC1(C)OC(=O)NC1=O D5670 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.41 CC(=O)N1CCNC1=O A4324 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.137 CC(C)OC(=O)C1CC1 I2243 [0,1,0,1,0,0|0,0,2]=4