0 B5R0.5 CC(=O)C(C)Br V0402 [0,0,0,0,0,0|1,1,1]=3 1 B5R0.5 CC(=O)C(Cl)Cl 7020AF [0,0,0,0,0,0|2,1,1]=4 2 B5R0.5 CC(Br)C(Br)Br 7028AF [0,0,0,0,0,0|3,0,0]=3 3 B5R0.5 CC(C)C(C)N 4455AL [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 CC(Cl)C(C)Cl 5219AL [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 CC(O)C(=O)[O-] P973 [0,0,0,0,0,0|1,2,1]=4 6 B5R0.5 CC(O)C(=O)[O-] Z1915 [0,0,0,0,0,0|1,2,1]=4 7 B5R0.5 CC(O)C(=O)[O-] Z1916 [0,0,0,0,0,0|1,2,1]=4 8 B5R0.5 CC(O)C(N)=O 7066AF [0,0,0,0,0,0|1,2,1]=4 9 B5R0.5 C[C@H](O)C(N)=O 4862AC [0,0,0,0,0,0|1,2,1]=4 10 B4R0.1 C#C[C@@H](C)N 8949AH [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 C#C[C@@H](C)N 8950AH [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 C=C(Br)CC 7231AF [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(=O)CN W5227 [1,0,0,0,0,0|1,1,1]=4 14 B4R0.1 CC(=O)OS V0446 [1,0,0,0,0,0|1,1,1]=4 15 B4R0.1 CC(C)NO C506 [1,0,0,0,0,0|2,1,0]=4 16 B4R0.1 CC(Cl)CCl Y6563 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(O)CN 8099AL [1,0,0,0,0,0|1,1,0]=3 18 B4R0.1 CCC(=O)F 3262AE [1,0,0,0,0,0|1,1,1]=4 19 B4R0.1 CCC(=O)[O-] 7037AF [1,0,0,0,0,0|1,1,1]=4 20 B4R0.1 CC[C@H](C)N 4197AL [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 NC(=O)CS 9295AE [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 O=C([O-])CS Z1770 [1,0,0,0,0,0|1,1,1]=4 23 B6R0.3 C=C(C)C(C)CC 7776AF [0,1,0,0,0,0|2,0,1]=4 24 B6R0.3 CC(C)C(Br)C=O 9932AB [0,1,0,0,0,0|2,0,1]=4 25 B6R0.3 CC(CCl)N(C)C X4629 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.3 COC(=O)C(C)N X3707 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.7 CC(C)(Cl)C(Cl)Cl 4333AL [0,1,0,0,0,0|3,0,0]=4 28 B6R0.7 CC(N)C(C)(C)O 2127AJ [0,1,0,0,0,0|1,1,0]=3 29 B6R0.7 C[C@@H](N)C(C)(C)O 8994AH [0,1,0,0,0,0|1,1,0]=3 30 B6R0.7 C[C@H](O)C(F)(F)F Z2134 [0,1,0,0,0,0|2,1,0]=4 31 B6R1.4 O=C1CCC1Br 0705AD [0,0,0,1,0,0|1,1,1]=4 32 B6R1.4 O=C1CCC1Cl 7041AD [0,0,0,1,0,0|1,1,1]=4 33 B6R1.9 NC1CC1(F)F 1312AJ [0,0,0,1,0,0|3,0,0]=4 34 B6R1.11 CC(N)C1CC1 8215AA [0,0,0,1,0,0|2,0,0]=3 35 B6R0.2 CC(C)C[C@@H](C)O 7431AJ [0,0,0,0,0,1|1,1,0]=3 36 B3R0.1 CNOC 2107AA [2,0,0,0,0,0|2,0,0]=4 37 B3R0.1 NCCBr 2022AL [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 NCCF X4686 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.1 NCCN 6877AF [2,0,0,0,0,0|2,0,0]=4 40 B3R0.2 CC(C)=O 5788AL [2,0,0,0,0,0|0,1,1]=4 41 B3R0.2 CC(C)N 8113AL [2,0,0,0,0,0|1,0,0]=3 42 B3R0.2 CC(C)O 7082AF [2,0,0,0,0,0|0,1,0]=3 43 B3R0.2 CC(Cl)Cl 9227AE [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C=CC[C@@H](C)O 1174AL [1,1,0,0,0,0|0,1,1]=4 45 B5R0.1 CC#C[C@H](C)O S982 [1,1,0,0,0,0|0,1,1]=4 46 B5R0.1 CC(=O)CCS U742 [1,1,0,0,0,0|0,1,1]=4 47 B5R0.1 CC(C)C[Mg]Cl 8723AJ [1,1,0,0,0,0|2,0,0]=4 48 B5R0.1 CC(Cl)CCBr 7250AF [1,1,0,0,0,0|1,0,0]=3 49 B5R0.1 CC(O)CC=O 7261AF [1,1,0,0,0,0|0,1,1]=4 50 B5R0.1 CCCC(C)I 7327AF [1,1,0,0,0,0|1,0,0]=3 51 B5R0.1 CCO[PH](C)=O 8330AA [1,1,0,0,0,0|1,1,0]=4 52 B5R0.1 CN(C)CCCl X8859 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.1 C[C@H](O)CC#N W1944 [1,1,0,0,0,0|0,1,1]=4 54 B5R0.3 CCC(=O)CN 2095AC [1,1,0,0,0,0|0,1,1]=4 55 B5R0.3 CCC(N)CN Y2034 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.3 CC[C@H](C)C#N 1254AL [1,1,0,0,0,0|1,0,0]=3 57 B5R0.3 C[C@@H](CO)CBr 6877AC [1,1,0,0,0,0|1,1,0]=4 58 B5R0.3 NC(CF)CF 7992AC [1,1,0,0,0,0|2,0,0]=4 59 B5R0.3 NC[C@@H](O)CCl Z2104 [1,1,0,0,0,0|1,1,0]=4 60 B5R0.3 NC[C@H](O)CCl Z2048 [1,1,0,0,0,0|1,1,0]=4 61 B5R0.3 OCC(O)CF 6245AB [1,1,0,0,0,0|0,2,0]=4 62 B5R0.3 OC[C@@H](O)CBr 7112AA [1,1,0,0,0,0|0,2,0]=4 63 B5R0.3 OC[C@H](O)CBr 6586AA [1,1,0,0,0,0|0,2,0]=4 64 B5R0.4 CC[Si](C)(C)C 9692AJ [1,1,0,0,0,0|1,1,0]=4 65 B7R0.16 CC(C)N(C)C(C)C 7778AC [0,1,0,0,0,1|2,0,0]=4 66 B7R0.10 BrCC(Br)C(Br)CBr F383 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.17 CC(C)(C)C(C)(C)C 5079AL [0,2,0,0,0,0|2,0,0]=4 68 B7R0.17 CC(C)(O)C(C)(C)O 7561AF [0,2,0,0,0,0|0,2,0]=4 69 B7R0.17 CC(C)(O)C(C)(C)O 7562AF [0,2,0,0,0,0|0,2,0]=4 70 B5R1.2 CC1CCN1 2132AL [1,0,0,1,0,0|1,0,0]=3 71 B5R1.2 NC1CNC1 X8588 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.3 CCC1CN1 Y8453 [1,0,0,1,0,0|1,0,0]=3 73 B5R1.3 ClCC1CS1 Y8722 [1,0,0,1,0,0|1,0,0]=3 74 B5R1.4 CC1OC1C 5247AL [1,0,0,1,0,0|0,1,0]=3 75 B5R1.5 CC1(N)CC1 W4667 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.2 CC1C=CC(C)N1 Y9566 [0,0,0,1,0,1|2,0,0]=4 77 B7R1.2 CC1CCC(C)N1 Y8778 [0,0,0,1,0,1|2,0,0]=4 78 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [0,0,0,1,0,1|2,0,0]=4 79 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [0,0,0,1,0,1|2,0,0]=4 80 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [0,0,0,1,0,1|2,0,0]=4 81 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [0,0,0,1,0,1|1,1,0]=4 82 B7R1.20 CC(C)CC1CN1 Y8873 [0,0,0,1,0,1|2,0,0]=4 83 B7R1.32 CC1(C)OC1(C)C 1420AQ [0,0,0,1,0,1|2,0,0]=4 84 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [0,1,0,1,0,0|1,1,0]=4 85 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [0,1,0,1,0,0|1,1,0]=4 87 B7R1.4 O[C@H]1CNC[C@H]1O 5860AA [0,1,0,1,0,0|0,2,0]=4 88 B7R0.6 CC(C)CCC(C)N 2762AB [0,0,0,0,0,2|2,0,0]=4 89 B7R0.6 CC(O)\C=C\C(C)O 7517AF [0,0,0,0,0,2|0,2,0]=4