0 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,0,0,0,0,0|1,0,2]=3 1 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CC(O)CC(F)(F)F Z6338 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(C)CC(C)Br 3157AB [1,0,0,0,0,0|1,0,0]=2 4 B6R0.2 CC(C)CC(C)C 7809AF [1,0,0,0,0,0|1,0,0]=2 5 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [1,0,0,0,0,0|2,1,0]=4 6 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.5 C=CCC(C)(C)C 6312AL [1,0,0,0,0,0|1,0,2]=4 8 B6R0.5 CC(C)(C)CC#N X4017 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.5 CC(C)(O)CCCl 0206AB [1,0,0,0,0,0|1,1,0]=3 10 B6R0.5 CNCC(C)(C)C 0063AE [1,0,0,0,0,0|2,0,0]=3 11 B6R0.5 COCC(C)(C)N Y8196 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.5 C[N+](C)(C)CCO 2907AC [1,0,0,0,0,0|2,0,0]=3 13 B8R0.24 C=CC(C)CC(C)(C)C 8131AF [0,1,0,0,0,0|2,0,0]=3 14 B8R0.24 CC(CO)CC(F)(F)F 8365AC [0,1,0,0,0,0|3,0,0]=4 15 B8R0.24 CCC(C)CC(C)(C)C 5091AL [0,1,0,0,0,0|2,0,0]=3 16 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O X9026 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.27 CC(C)(C)[C@H](N)C(=O)O V9295 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.27 CC(C)(O)C(N)C(=O)O 5433AJ [0,1,0,0,0,0|1,1,1]=4 19 B8R0.33 CC(C)(C)CC(C)(C)C 5086AL [0,1,0,0,0,0|2,0,0]=3 20 B8R0.33 CC(C)(C)CC(C)(C)O 5255AL [0,1,0,0,0,0|1,0,0]=2 21 B8R0.34 CC(C)CC(C)(C)C#N 8274AE [0,1,0,0,0,0|2,0,0]=3 22 B8R0.34 CCC(C)(O)CC(C)C 5937AL [0,1,0,0,0,0|1,1,0]=3 23 B8R0.34 COC(C)(C)CC(C)O 7818AF [0,1,0,0,0,0|0,1,0]=2 24 B8R0.34 CSC(C)(C)CC(C)=O U806 [0,1,0,0,0,0|0,0,2]=3 25 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,0,0,1,0,0|0,0,2]=3 26 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.51 CC1(C)CCC(N)C1 2064AJ [0,0,0,1,0,0|2,0,0]=3 28 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,0,0,1,0,0|2,0,1]=4 29 B8R1.51 CC1COC(C)(C)O1 5088AL [0,0,0,1,0,0|2,1,0]=4 30 B6R0.7 CC(=O)C(C)(C)Br Y1567 [0,0,0,0,1,0|1,0,2]=4 31 B6R0.7 CC(=O)C(C)(C)O X0229 [0,0,0,0,1,0|0,1,2]=4 32 B6R0.7 CC(Br)C(C)(Br)Br 5080AL [0,0,0,0,1,0|3,0,0]=4 33 B6R0.7 CC(C)(Cl)C(=O)O 8852AB [0,0,0,0,1,0|2,0,1]=4 34 B6R0.7 CC(C)C(C)(C)C 5081AL [0,0,0,0,1,0|2,0,0]=3 35 B6R0.7 CC(C)C(C)(C)N Y5738 [0,0,0,0,1,0|2,0,0]=3 36 B6R0.7 CC(C)[Si](C)(C)Cl 8728AJ [0,0,0,0,1,0|2,1,0]=4 37 B6R0.7 C[C@@H](O)C(F)(F)F 0965AQ [0,0,0,0,1,0|3,0,0]=4 38 B8R0.29 CC(C)(C)CCC(=O)O 8824AC [0,0,0,0,0,1|2,0,1]=4 39 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,0,0,0,0,1|2,0,1]=4 40 B8R0.29 CC(C)CCC(C)(C)C 8138AF [0,0,0,0,0,1|2,0,0]=3 41 B8R0.29 CC(O)C#C[Si](C)(C)C 8191AJ [0,0,0,0,0,1|1,1,1]=4 42 B8R0.29 CN(C)CCC(C)(C)N 5824AC [0,0,0,0,0,1|3,0,0]=4 43 B5R0.1 C#CCC(C)O 6664AL [2,0,0,0,0,0|0,0,2]=4 44 B5R0.1 C=CCC(C)C 6595AL [2,0,0,0,0,0|0,0,2]=4 45 B5R0.1 C=CCC(C)O 7318AF [2,0,0,0,0,0|0,0,2]=4 46 B5R0.1 CC#CC(C)C 6601AL [2,0,0,0,0,0|0,0,2]=4 47 B5R0.1 CC(C)CCCl 7326AF [2,0,0,0,0,0|1,0,0]=3 48 B5R0.1 CC(O)CON 3604AB [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|0,0,2]=4 50 B5R0.1 CCOC(C)C 7879AL [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 CCSC(C)C 7880AL [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CNCC(C)C 8603AL [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 COC[C@H](C)O W4988 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 C[C@H](N)CCO 3502AC [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 C\C=C\C(C)C 7501AF [2,0,0,0,0,0|0,0,2]=4 56 B5R0.4 CCC(C)(Cl)Cl 5119AL [2,0,0,0,0,0|2,0,0]=4 57 B7R0.2 C#CC(O)CC(C)C 6792AL [1,1,0,0,0,0|0,0,1]=3 58 B7R0.2 C=C(C)CC(C)CC 5312AL [1,1,0,0,0,0|1,0,1]=4 59 B7R0.2 CC(C)CC(N)C#N 5444AJ [1,1,0,0,0,0|1,0,1]=4 60 B7R0.2 CC(CO)CN(C)C 0615AE [1,1,0,0,0,0|1,0,0]=3 61 B7R0.2 CCC(C)CC(C)C 5322AL [1,1,0,0,0,0|1,0,0]=3 62 B7R0.2 CN(C)CC(O)CCl 4719AE [1,1,0,0,0,0|1,0,0]=3 63 B7R0.2 CN(C)CC(O)CN V6256 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.2 COC(C)CC(=O)O 0132AA [1,1,0,0,0,0|1,0,1]=4 65 B7R0.16 CC(C)C(C)C(C)C 7982AF [1,1,0,0,0,0|1,0,0]=3 66 B7R0.16 CC(C)C(F)C(=O)O W3426 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.8 CC(C)(C)CCC#N X3674 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.8 CC(C)(C)SCCN 7714AD [1,1,0,0,0,0|2,0,0]=4 69 B7R0.8 CC(C)(O)CCCN 6321AJ [1,1,0,0,0,0|0,1,0]=3 70 B7R0.8 CCCCC(C)(C)C 5136AL [1,1,0,0,0,0|1,0,0]=3 71 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [1,1,0,0,0,0|1,1,0]=4 72 B7R0.8 CCNCC(C)(C)O 9524AH [1,1,0,0,0,0|0,1,0]=3 73 B7R0.8 CNCCC(C)(C)C 9066AC [1,1,0,0,0,0|1,0,0]=3 74 B7R0.8 C[Si](C)(C)CCCCl 0153AQ [1,1,0,0,0,0|1,1,0]=4 75 B7R0.11 CCOC(C)(C)CC 9029AL [1,1,0,0,0,0|2,0,0]=4 76 B7R0.11 COC(C)(C)CCN 3408AD [1,1,0,0,0,0|1,1,0]=4 77 B7R0.11 COCC(C)(C)CN 9457AE [1,1,0,0,0,0|2,0,0]=4 78 B7R0.11 COCC(C)(C)CO Y5474 [1,1,0,0,0,0|1,1,0]=4 79 B7R0.14 CC(C)(C)[C@H](N)CO X9000 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.14 CNC(C)C(C)(C)C 2628AF [1,1,0,0,0,0|2,0,0]=4 81 B9R0.21 CC(C)(C)NCC(O)CCl Y9046 [0,1,0,0,0,1|1,0,0]=3 82 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C 2830AH [0,1,0,0,0,1|1,0,1]=4 83 B9R0.30 [C-]#[N+]C(C)(C)CC(C)(C)C 4334AL [0,2,0,0,0,0|2,0,0]=4 84 B9R0.32 CC(C)C(O)C(C)(C)C#N 5089AL [0,2,0,0,0,0|2,0,0]=4 85 B7R1.2 CC1CCC(C)O1 Z5431 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.2 CN1CCC(Br)C1 1332AA [1,0,0,1,0,0|2,0,0]=4 87 B7R1.2 CN1CC[C@H](N)C1 Y4288 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [1,0,0,1,0,0|1,0,0]=3 89 B7R1.2 NC1CCC(O)C1 6561AA [1,0,0,1,0,0|1,0,0]=3 90 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [1,0,0,1,0,0|1,0,0]=3 91 B7R1.20 CC(C)NC1CC1 V4644 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.32 CC1(C)CC1(C)C 4327AL [1,0,0,1,0,0|1,0,0]=3 93 B7R1.32 CC1(C)OC1(C)C 1420AQ [1,0,0,1,0,0|2,0,0]=4 94 B7R1.14 CC1(C)CCNC1 2404AC [1,0,0,1,0,0|2,0,0]=4 95 B7R1.14 CC1(N)CCCC1 0991AQ [1,0,0,1,0,0|1,0,0]=3 96 B7R1.23 OCC1CC1(F)F X8433 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.26 CC(C)(O)C1CC1 Y4733 [1,0,0,1,0,0|0,1,0]=3 98 B9R1.10 CC1(O)CCC(N)CC1 2613AJ [0,0,0,1,0,1|1,1,0]=4 99 B9R1.10 CC1CCC(C)(C)CC1 4337AL [0,0,0,1,0,1|2,0,0]=4 100 B9R1.66 CC1(C)CC(N)CCO1 1321AJ [0,1,0,1,0,0|1,1,0]=4 101 B9R1.66 CC1(C)CC(N)CCO1 Z4507 [0,1,0,1,0,0|1,1,0]=4 102 B9R1.223 CC1(C)SC(C)(C)C1=O 6118AE [0,1,0,1,0,0|1,0,1]=4 103 B5R0.5 C=C(C)C(C)C 5230AL [1,0,0,0,1,0|1,0,1]=4 104 B5R0.5 CC(N)C(C)O 7117AF [1,0,0,0,1,0|1,0,0]=3 105 B7R0.6 C=C(C)CCC(C)C 5371AL [1,0,0,0,0,1|1,0,1]=4 106 B7R0.6 CC(C)CCC(C)C 5381AL [1,0,0,0,0,1|1,0,0]=3 107 B7R0.6 CC(C)CNC(C)C 2335AE [1,0,0,0,0,1|1,0,0]=3 108 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [1,0,0,0,0,1|0,1,0]=3