0 B8R0.1 CCOC(=O)\C=C\CBr E1566 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 CCCCC(O)CN A13447 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.3 CCCC\C(N)=N/O H14021 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.3 COC(=O)\C=C\CBr M1565 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.7 COCC(=O)COC D12730 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.18 CCOCC(N)COCC E17053 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.34 CCOC(=O)C\C(N)=N\O H13133 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.48 CCOC(=O)\C=C\N(C)C E12533 [0,1,0,0,0,0|1,0,2]=4 13 B9R1.8 NCCC1=CCCCC1 C3468 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.12 CCCCC1CCCN1 B15289 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.15 CCC1NCCNC1=O E15728 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.27 CCC1=C(C)CNC1=O E5392 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.27 CCC1C(=O)NCC1C E17699 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.73 CCOC(=O)C1CNC1 A19137 [0,0,0,1,0,0|1,0,0]=2 19 B6R0.6 CCCCCCBr S19038 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|0,0,2]=4 21 B6R0.1 CCOC(=O)CN A14488 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.4 CCCCB(O)O B0514 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 NCCCC(=O)O A19243 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 O=C(Cl)CCCCl C18875 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.7 CCCCCC[C@H](C)O O2182 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.3 COC(=O)C(N)CCBr M13176 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [1,1,0,0,0,0|1,0,0]=3 32 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C L5533 [0,2,0,0,0,0|0,0,0]=2 33 B10R0.2 CCOC(=O)C[C@H](O)CC#N E2621 [0,2,0,0,0,0|0,0,1]=3 34 B10R0.19 CCOC(=O)[C@@H](N)CCSC M5409 [0,2,0,0,0,0|0,0,0]=2 35 B10R0.19 CCOC(=O)[C@H](N)CCSC M6334 [0,2,0,0,0,0|0,0,0]=2 36 B10R0.26 CCOC(=O)CC(N)C(C)C A14611 [0,2,0,0,0,0|0,0,0]=2 37 B8R1.2 BrCC1CCOCC1 B8153 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.2 CCC1CCCCN1 E3360 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.2 NCC1CCOCC1 A18185 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.8 CCCC1CCCN1 P17208 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.36 CCCNCC1CC1 P2232 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.1 CCC1=NC(C)CN1 E1868 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.1 O=C1CC[C@@H](CBr)N1 B12676 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 O=C1CC[C@@H](CO)N1 H12661 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.3 CN1CCC(=O)CC1 M3185 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.3 O=C1CCC(O)CC1 H15821 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.38 COC(=O)C1CCN1 M19139 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.52 CCC1(O)CCCC1 E11709 [1,0,0,1,0,0|0,0,2]=4 53 B8R1.52 CCC1(O)CCCC1 E11709 [1,0,0,1,0,0|0,0,2]=4 54 B10R1.61 CC(=O)N1CCCCC1=O A17996 [0,1,0,1,0,0|1,0,1]=4 55 B10R1.10 NCCN1CCNC(=O)C1 A15432 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.29 CCCCN1CCCC1=O B18734 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.138 CCCC(=O)OC[C@H]1CO1 G3666 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.401 CCOC(=O)C1(N)CCC1 A15435 [0,1,0,1,0,0|0,0,0]=2 59 B10R1.401 CCOC(=O)C1(N)CCC1 A18524 [0,1,0,1,0,0|0,0,0]=2 60 B10R2.62 C12CCN(CC1)CC2=O Q5369 [0,0,0,2,0,0|2,0,0]=4 61 B10R2.71 O=C1CC2CCC(C1)N2 N14390 [0,0,0,2,0,0|2,0,0]=4 62 B10R2.71 O=C1CC2CCC(C1)N2 N14390 [0,0,0,2,0,0|2,0,0]=4