0 B8R0.8 C=C(C)C(=O)OCCCl 35876 [1,0,0,0,0,0|1,0,2]=4 1 B8R0.8 C=C(C)C(=O)OCCO 35748 [1,0,0,0,0,0|1,0,2]=4 2 B8R0.28 CC(C)N=C=NC(C)C 12717 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.28 CC(C)\N=C\NC(C)C 28999 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.205 C=C(C)C(=O)OCC1CO1 23289 [0,0,0,1,0,0|1,0,2]=4 5 B8R0.23 CC(C)OC(=O)[C@H](C)N 20221 [0,0,0,0,1,0|1,0,0]=2 6 B8R0.23 CC(C)OC(=O)[C@H](C)N 24811 [0,0,0,0,1,0|1,0,0]=2 7 B7R0.5 CCOC(=O)C(C)F 13697 [2,0,0,0,0,0|1,0,0]=3 8 B7R0.5 CCOC(=O)C(C)N 10928 [2,0,0,0,0,0|1,0,0]=3 9 B7R0.5 CCOC(=O)C(F)F 29087 [2,0,0,0,0,0|2,0,0]=4 10 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [2,0,0,0,0,0|1,0,0]=3 11 B7R0.5 CCOC(=O)[C@H](C)N 12964 [2,0,0,0,0,0|1,0,0]=3 12 B7R0.5 CCOC(=O)[C@H](C)O 26157 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.6 CC(C)CCC(=O)Cl 20015 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.6 CC(C)CO[N+](=O)[O-] 28953 [2,0,0,0,0,0|2,0,0]=4 15 B9R0.3 CC(C)(C)C(=O)OCCO 22262 [1,1,0,0,0,0|1,0,0]=3 16 B9R0.6 CCOC(=O)C(=O)C(C)C 18179 [1,1,0,0,0,0|2,0,0]=4 17 B9R0.47 CN(C)C(=O)CCCCBr 36181 [1,1,0,0,0,0|2,0,0]=4 18 B9R0.23 CCC(=O)C(C)CN(C)C 44881 [1,1,0,0,0,0|2,0,0]=4 19 B9R0.23 COC(=O)[C@@H](N)CC(C)C 10892 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.23 COC(=O)[C@H](N)CC(C)C 10893 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.10 CC(C)OC(=O)C(F)(F)F 12590 [0,1,0,0,1,0|2,0,0]=4 22 B9R0.57 CN(N)C(=O)OC(C)(C)C 16950 [0,1,0,0,1,0|2,0,0]=4 23 B9R0.57 C[C@@H](N)C(=O)OC(C)(C)C 12882 [0,1,0,0,1,0|1,0,0]=3 24 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C 35425 [0,1,0,0,1,0|1,0,0]=3 25 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C 10948 [0,1,0,0,1,0|1,0,0]=3 26 B11R0.34 CC(N)CNC(=O)OC(C)(C)C 18322 [0,1,0,0,0,1|2,0,0]=4 27 B9R1.5 CN1CCCCCC1=O 36383 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.5 NC1CCCCNC1=O 20137 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.5 N[C@H]1CCCCNC1=O 14097 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.69 CC1CN(C)CCC1=O 14069 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.10 CC1(C)C=CC(=O)CC1 17152 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.10 CC1(C)CCC(=O)CC1 30356 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.49 CN1CCCC(=O)CC1 2442 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.49 CN1CCCC(=O)CC1 2443 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.138 CC1(C)COC(=O)C1=O 36010 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.138 CC1(C)COC(=O)[C@@H]1O 35059 [1,0,0,1,0,0|1,0,0]=3 38 B9R1.138 CC1(C)COC(=O)[C@H]1O 15870 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.137 CC(=O)CC(=O)C1CC1 21009 [0,0,0,1,1,0|1,0,1]=4 40 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O 15735 [0,1,0,1,0,0|1,0,0]=3 41 B7R0.2 CC(C)NC(=O)CBr 17628 [1,0,0,0,1,0|2,0,0]=4 42 B7R0.2 CCC(=O)CC(C)=O 24813 [1,0,0,0,1,0|1,0,1]=4 43 B7R0.2 COC(=O)C[C@@H](C)O 13967 [1,0,0,0,1,0|2,0,0]=4 44 B7R0.2 COC(=O)C[C@H](C)O 13965 [1,0,0,0,1,0|2,0,0]=4 45 B7R0.16 CC(C)P(Cl)C(C)C 6476 [0,0,0,0,2,0|2,0,0]=4