0 B9R0.53 CC(=O)CC(C)CC(C)C 0099AB [0,0,0,0,0,0|2,0,1]=3 1 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,0,0,0,0,0|3,0,1]=4 2 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 C=C(C)CC(C)CCC 5311AL [1,0,0,0,0,0|1,0,2]=4 4 B8R0.5 CCCC(=O)NC(C)C 4245AA [1,0,0,0,0,0|1,0,2]=4 5 B8R0.5 CCCC(C)CC(C)C 5321AL [1,0,0,0,0,0|1,0,0]=2 6 B8R0.28 CC(=O)CCOC(C)C 6552AL [1,0,0,0,0,0|2,0,1]=4 7 B8R0.28 CC(C)CSCC(C)C 8004AF [1,0,0,0,0,0|1,0,0]=2 8 B8R0.28 CC(C)SSSC(C)C 7678AL [1,0,0,0,0,0|3,0,0]=4 9 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [1,0,0,0,0,0|0,0,2]=3 10 B10R0.13 CC(C)NC(=O)C(N)C(C)C 2809AD [0,1,0,0,0,0|1,0,2]=4 11 B10R0.70 CO\C(=N\C(C)C)NC(C)C 8718AL [0,1,0,0,0,0|2,0,1]=4 12 B10R0.165 CN(C)CC(C)(C)CN(C)C 8384AL [0,1,0,0,0,0|3,0,0]=4 13 B10R1.329 CC1CC(C)CC(C)(C)C1 4336AL [0,0,0,1,0,0|1,0,0]=2 14 B10R1.329 C[C@@H]1C[C@@H](O)CC(C)(C)C1 9216AL [0,0,0,1,0,0|0,0,0]=1 15 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,0,0,0,1,0|2,0,1]=4 16 B8R0.23 CC(C)CC(O)C(C)C 5374AL [0,0,0,0,1,0|0,0,0]=1 17 B8R0.23 CC(C)NC(=O)C(C)C 1083AF [0,0,0,0,1,0|1,0,2]=4 18 B8R0.23 CC(C)OC(=O)C(C)C 7796AF [0,0,0,0,1,0|1,0,2]=4 19 B8R0.23 CC(CN(C)C)N(C)C 8383AL [0,0,0,0,1,0|3,0,0]=4 20 B7R0.2 C#CC(O)CC(C)C 6792AL [2,0,0,0,0,0|0,0,2]=4 21 B7R0.2 CCC(C)CC(C)C 5322AL [2,0,0,0,0,0|1,0,0]=3 22 B7R0.2 CN(C)CC(O)CCl 4719AE [2,0,0,0,0,0|2,0,0]=4 23 B7R0.2 CN(C)CC(O)CN V6256 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.4 C=C(C)CCCCC 5698AL [2,0,0,0,0,0|0,0,2]=4 25 B7R0.4 CC(C)CCCCO 6988AE [2,0,0,0,0,0|1,0,0]=3 26 B7R0.4 CC(C)COCCN 0042AD [2,0,0,0,0,0|2,0,0]=4 27 B7R0.4 CC(C)CSCCO 5051AL [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CC(C)OCCCCl U192 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CC(C)OCCCO 9315AD [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CCCCCC(C)C 5733AL [2,0,0,0,0,0|0,0,0]=2 31 B7R0.4 CCCCCC(C)Cl 5577AL [2,0,0,0,0,0|1,0,0]=3 32 B7R0.4 CCCCNC(C)C 2334AE [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 CN(C)CCCCN 1354AE [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 COCCNC(C)C 8018AC [2,0,0,0,0,0|2,0,0]=4 35 B7R0.7 CCCC(C)CCO 6091AL [2,0,0,0,0,0|2,0,0]=4 36 B7R0.7 CCCN(C)CCC 0883AE [2,0,0,0,0,0|2,0,0]=4 37 B9R0.6 CCCC(C)C(=O)C(C)C 9737AA [1,1,0,0,0,0|1,0,1]=4 38 B9R0.34 CCCC(C)CC(C)CC 5939AL [1,1,0,0,0,0|1,0,0]=3 39 B9R0.7 CC(CCN(C)C)N(C)C 8021AF [1,1,0,0,0,0|2,0,0]=4 40 B9R0.39 CC(C)N[C@H](CO)C(C)C 8919AC [0,1,0,0,1,0|1,0,0]=3 41 B11R0.173 CC(C)CNC(=O)C(N)C(C)C 2783AD [0,1,0,0,0,1|0,0,2]=4 42 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C Y1189 [0,2,0,0,0,0|1,0,0]=3 43 B11R0.32 CC(C)CN(CC(C)C)C(=S)[S-] P077 [0,2,0,0,0,0|1,1,0]=4 44 B9R1.13 CC(C)CC1CCNC1 4475AF [1,0,0,1,0,0|2,0,0]=4 45 B9R1.34 CC1CC(C)CC(C)C1 4493AL [1,0,0,1,0,0|1,0,0]=3 46 B9R1.34 CC1CC(O)CC(C)O1 0633AE [1,0,0,1,0,0|1,0,0]=3 47 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 3978AL [1,0,0,1,0,0|2,0,0]=4 48 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 7400AL [1,0,0,1,0,0|2,0,0]=4 49 B9R1.41 CN(C)C1COCC1O 0705AA [1,0,0,1,0,0|2,0,0]=4 50 B9R1.41 CN(C)C1COCC1O Q661 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.66 CC1(C)CC(N)CCO1 1321AJ [1,0,0,1,0,0|2,0,0]=4 52 B9R1.66 CC1(C)CC(N)CCO1 Z4507 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.66 CC1(C)CCCC(N)C1 2063AJ [1,0,0,1,0,0|1,0,0]=3 54 B9R1.49 CN1CCCC(N)CC1 3590AF [1,0,0,1,0,0|2,0,0]=4 55 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,0,0,1,1,0|0,0,2]=4 56 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,0,0,1,1,0|1,0,0]=3 57 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 3960AL [0,1,0,1,0,0|0,0,0]=2 58 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Cl 5128AD [0,1,0,1,0,0|1,0,0]=3 59 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1N 8671AA [0,1,0,1,0,0|1,0,0]=3 60 B11R1.1362 CC1(C)CC(N)CC(C)(C)O1 1310AJ [0,1,0,1,0,0|1,0,0]=3 61 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 1311AJ [0,1,0,1,0,0|0,0,0]=2 62 B11R2.845 CC(N)C1CC2CCC1C2 V4641 [0,0,0,2,0,0|2,0,0]=4 63 B7R0.5 CC(C)C(N)CCO 5799AJ [1,0,0,0,1,0|2,0,0]=4 64 B7R0.5 CCCC(=O)C(C)C 5712AL [1,0,0,0,1,0|0,0,2]=4 65 B7R0.5 CCCC(O)C(C)C 5711AL [1,0,0,0,1,0|0,0,0]=2 66 B7R0.5 COCC(N)C(C)C 9904AH [1,0,0,0,1,0|2,0,0]=4 67 B7R0.6 C=C(C)CCC(C)C 5371AL [1,0,0,0,1,0|0,0,2]=4 68 B7R0.6 CC(C)CCC(C)Br 5483AJ [1,0,0,0,1,0|1,0,0]=3 69 B7R0.6 CC(C)CCC(C)C 5381AL [1,0,0,0,1,0|0,0,0]=2 70 B7R0.6 CN(C)CCN(C)C 2336AA [1,0,0,0,1,0|2,0,0]=4 71 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,0,0,0,2,0|1,0,0]=3 72 B9R0.55 CC(=O)CCOCC(C)C 6549AL [1,0,0,0,0,1|1,0,1]=4 73 B9R0.55 CN(C)CCCCN(C)C 8022AF [1,0,0,0,0,1|2,0,0]=4