0 B7R0.9 C=C(Br)C[Si](C)(C)C T71355 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 C=C(C)CC(C)(C)C F21333 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 CC(=O)CC(C)(C)N F18062 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 C[N+](C)(C)CC(=O)Cl S12388 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.9 [2H]C([2H])(C)CC(=O)O D99060 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.5 C=CCC(C)(C)N 68260 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.5 CC(C)(C)CON AT14507 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.5 CCCC(C)(C)C D87693 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.5 C[N+](C)(C)CCO AC6994 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.5 C[Si](C)(C)\C=C\Br 12164 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,0|3,0,0]=4 15 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,0,0,0,1,0|2,0,1]=4 16 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,0,0,0,0,1|2,0,0]=3 17 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,0,0,0,0,1|1,0,1]=3 18 B8R0.29 CP(C)(=O)CCC(=O)O AT13420 [0,0,0,0,0,1|1,1,1]=4 19 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.4 CC(C)(C)Cl=O D90846 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|2,0,0]=4 22 B7R0.2 COC(=O)CN(C)C F21349 [1,1,0,0,0,0|0,0,2]=4 23 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.11 C=CCC(C)(C)CN 68263 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.11 C=CCC(C)(C)CO 68262 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.14 CC(C)(C)[C@H](Br)C=O F31119 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.13 CC(C)(CBr)C(=O)O AC8762 [0,1,0,0,1,0|1,0,1]=4 29 B7R0.13 CC(C)(CCl)C(N)=O AT25939 [0,1,0,0,1,0|2,0,0]=4 30 B7R0.13 COC(C)(C)C(C)=O S10204 [0,1,0,0,1,0|2,0,0]=4 31 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O F53739 [0,1,0,0,0,1|1,0,1]=4 32 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C W16415 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.44 C=CCC(=O)CC(C)(C)C F30715 [0,2,0,0,0,0|2,0,0]=4 34 B9R0.80 CC(C)(C)[C@](C)(N)C(=O)O AT23409 [0,2,0,0,0,0|1,0,1]=4 35 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|1,0,1]=4 36 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.20 CC(=O)CC1CC1 N12620 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.10 CC1(C)CCC(=O)NC1 55120 [0,0,0,1,0,1|2,0,0]=4 40 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.138 CC1(C)CNC(=O)[C@H]1N AT19091 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.138 CC1(C)CNC(=O)[C@H]1O AT19033 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.169 CC1(C)C[C@@]1(Br)C(=O)O AT12983 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.169 CC1(C)C[C@@]1(F)C(=O)O AT12982 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.169 CC1(C)C[C@]1(C)C(=O)O AT12979 [0,1,0,1,0,0|1,0,1]=4 47 B5R0.5 C=C(C)C(=O)[O-] F14145 [1,0,0,0,1,0|1,0,1]=4 48 B5R0.5 CC(C)C(=O)O A11457 [1,0,0,0,1,0|1,0,1]=4 49 B5R0.5 CC(C)S(=O)[O-] AT25017 [1,0,0,0,1,0|2,0,0]=4 50 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,0,0,0,1,0|1,0,0]=3 51 B5R0.5 CC(C)[S@](=O)[O-] C11403 [1,0,0,0,1,0|2,0,0]=4 52 B5R0.5 [2H]C(=O)N(C)C D99052 [1,0,0,0,1,0|1,0,1]=4 53 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [1,0,0,0,0,1|1,0,0]=3 54 B9R0.56 CC(=O)SCC[N+](C)(C)C C15407 [0,0,0,0,0,2|1,0,0]=3 55 B9R0.56 C[Si](C)(C)CCOC(=O)Cl S11034 [0,0,0,0,0,2|2,0,0]=4