0 B9R0.53 CC(C)=CC(=O)C=C(C)C 29047 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 C\C(=N/C(C)C)NC(C)C 36346 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.5 CC(C)OC(=O)OCCl 28997 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.5 CCOC(=O)CC(C)=O 14160 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.5 CCOC(=O)C[C@@H](C)O 13859 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.5 CCOC(=O)C[C@H](C)O 13963 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.5 CCOC(=O)C[C@H](C)O 15560 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.28 CC(C)N=C=NC(C)C 12717 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.28 CC(C)\N=C\NC(C)C 28999 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.165 CC(C)OP(C)(=O)OC(C)C 19029 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.329 CC1(C)CC(=O)C=C(N)C1 14457 [0,0,0,1,0,0|1,0,2]=4 11 B10R1.329 CC1(C)CC(=O)NC(=O)C1 35108 [0,0,0,1,0,0|2,0,1]=4 12 B8R0.23 CC(C)OC(=O)[C@H](C)N 20221 [0,0,0,0,1,0|2,0,0]=3 13 B8R0.23 CC(C)OC(=O)[C@H](C)N 24811 [0,0,0,0,1,0|2,0,0]=3 14 B7R0.2 CC(C)NC(=O)CBr 17628 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.2 CCC(=O)CC(C)=O 24813 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.2 COC(=O)C[C@@H](C)O 13967 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.2 COC(=O)C[C@H](C)O 13965 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.4 CC(C)CCCCBr 35107 [2,0,0,0,0,0|1,0,1]=4 19 B7R0.4 CCCCCC(C)O 3094 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 CCCCC[C@@H](C)O 6739 [2,0,0,0,0,0|1,0,1]=4 21 B7R0.4 CCCCC[C@H](C)O 6736 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.7 CCCC(N)CCC 12594 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.7 CCOC(=O)CCBr 25427 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.7 CCOC(=O)CCN 10927 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.7 CCOC(=O)CNC 10917 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.7 O=C(CCCl)CCCl 2482 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.6 CCOC(=O)C(=O)C(C)C 18179 [1,1,0,0,0,0|1,0,1]=4 28 B9R0.6 CCOC(=O)C(Br)C(C)Br 12650 [1,1,0,0,0,0|2,0,0]=4 29 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 14928 [1,1,0,0,0,0|1,0,0]=3 30 B9R0.6 CCOC(=O)[C@H](O)C(C)C 15559 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.44 CC(C)(C)NC(=O)CCN 22383 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.44 CCOC(=O)C[Si](C)(C)C 16058 [1,1,0,0,0,0|1,1,0]=4 37 B9R0.44 CNCC(=O)OC(C)(C)C 19034 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.57 C[C@@H](N)C(=O)OC(C)(C)C 12882 [0,1,0,0,1,0|2,0,0]=4 39 B9R0.57 C[C@@H](O)C(=O)OC(C)(C)C 35425 [0,1,0,0,1,0|2,0,0]=4 40 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C 10948 [0,1,0,0,1,0|2,0,0]=4 41 B11R0.34 CC(N)CNC(=O)OC(C)(C)C 18322 [0,1,0,0,0,1|2,0,0]=4 42 B11R0.308 CC(C)[C@@H](N)C(=O)NC(C)(C)C 16214 [0,2,0,0,0,0|1,0,0]=3 43 B11R0.308 CC(C)[C@@H](O)C(=O)OC(C)(C)C 35424 [0,2,0,0,0,0|1,0,0]=3 44 B11R0.308 CC(C)[C@H](N)C(=O)OC(C)(C)C 13017 [0,2,0,0,0,0|1,0,0]=3 45 B11R0.308 CC(C)[C@H](O)C(=O)OC(C)(C)C 5569 [0,2,0,0,0,0|1,0,0]=3 46 B11R0.119 C[C@@H](CO)NC(=O)OC(C)(C)C 10998 [0,2,0,0,0,0|2,0,0]=4 47 B11R0.119 C[C@H](CO)NC(=O)OC(C)(C)C 11001 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.34 CC1CC(=O)CC(=O)C1 14279 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.34 CC1CC(=O)CC(C)C1 35048 [1,0,0,1,0,0|0,0,0]=2 50 B9R1.48 O=C1CCCCC(=O)C1 20261 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.66 CC1(C)CC(=O)CCO1 24423 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.66 CC1(C)CCCC(=O)C1 27316 [1,0,0,1,0,0|0,0,0]=2 53 B9R1.137 CC(=O)CC(=O)C1CC1 21009 [1,0,0,1,0,0|1,0,1]=4 54 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O 7972 [0,1,0,1,0,0|0,0,2]=4 55 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 32226 [0,1,0,1,0,0|0,0,2]=4 56 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O 7968 [0,1,0,1,0,0|0,0,2]=4 57 B11R1.1361 CC1CC(C)(C)CC(=O)C1=O 15735 [0,1,0,1,0,0|0,0,1]=3 58 B11R1.1127 CC(C)(C)OC(=O)NC1CC1 18850 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.1362 CC1(C)CC(=O)CC(C)(C)C1 35064 [0,1,0,1,0,0|0,0,0]=2 60 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 23872 [0,1,0,1,0,0|0,0,0]=2 61 B11R1.1362 CC1(C)CC(=O)CC(C)(C)O1 26960 [0,1,0,1,0,0|0,0,0]=2 62 B11R1.1362 CC1(C)CC(N)CC(C)(C)N1 6821 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.1362 CC1(C)CC(O)CC(C)(C)N1 23863 [0,1,0,1,0,0|0,0,2]=4 64 B11R2.433 O=C1CN2CCC(CC2)N1 18336 [0,0,0,2,0,0|2,0,0]=4 65 B7R0.5 CCOC(=O)C(C)F 13697 [1,0,0,0,1,0|2,0,0]=4 66 B7R0.5 CCOC(=O)C(C)N 10928 [1,0,0,0,1,0|2,0,0]=4 67 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [1,0,0,0,1,0|2,0,0]=4 68 B7R0.5 CCOC(=O)[C@H](C)N 12964 [1,0,0,0,1,0|2,0,0]=4 69 B7R0.5 CCOC(=O)[C@H](C)O 26157 [1,0,0,0,1,0|2,0,0]=4 70 B7R0.6 CP(C)CCP(C)C 6482 [1,0,0,0,1,0|2,0,0]=4 71 B7R0.6 C[C@H](O)CC[C@H](C)O 6345 [1,0,0,0,1,0|2,0,0]=4 72 B7R0.16 CC(C)P(Cl)C(C)C 6476 [0,0,0,0,2,0|2,0,0]=4