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 NS(=O)(=O)CC(=O)O AT20621 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.9 [2H]C([2H])(C)CC(=O)O D99060 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.9 [2H]C([2H])([2H])CC(=O)O D98684 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 C\C(I)=C\C(=O)O W11497 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.5 C=CCC(C)(C)N 68260 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.5 CC(C)(C)CON AT14507 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.5 CC(C)(I)CCO AC4846 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.5 CCCC(C)(C)C D87693 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.5 C[N+](C)(C)CCO AC6994 [1,0,0,0,0,0|0,0,1]=2 13 B6R0.5 C[Si](C)(C)\C=C\Br 12164 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.33 CC(C)(C)CC(C)(C)O T72831 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.34 CNS(=O)(=O)CC(=O)O AT20624 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.34 [2H]C([2H])(CC)CC(=O)O D98646 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.77 O=C(O)C1CC1(F)Br F50745 [0,0,0,1,0,0|3,0,0]=4 22 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,0,0,0,1,0|2,0,0]=3 23 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [0,0,0,0,1,0|3,0,0]=4 24 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [0,0,0,0,1,0|3,0,0]=4 25 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,0,0,0,0,1|2,0,0]=3 26 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,0,0,0,0,1|1,0,0]=2 27 B8R0.29 CP(C)(=O)CCC(=O)O AT13420 [0,0,0,0,0,1|1,1,0]=3 28 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 NCCC(=O)O T70551 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.4 CC(C)(C)Cl=O D90846 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.4 [2H]C(C)(C)CO D98435 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.2 CC\C(C)=C/C(=O)O 64163 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.2 COC(=O)CN(C)C F21349 [1,1,0,0,0,0|0,0,1]=3 35 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.8 CC(C)(C)SCCO AT13948 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.8 CONCC(C)(C)C AT24905 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.11 C=CCC(C)(C)CN 68263 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.11 C=CCC(C)(C)CO 68262 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.11 CC(C)(CN)CCO AT20760 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.14 CC(C)(C)[C@@H](N)CO AT21573 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.14 CC(C)(C)[C@@H](N)CO AT21575 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.14 CC(C)(C)[C@H](Br)C=O F31119 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.13 CC(C)(CBr)C(=O)O AC8762 [0,1,0,0,1,0|1,0,0]=3 51 B7R0.13 CC(C)(CCl)C(N)=O AT25939 [0,1,0,0,1,0|2,0,0]=4 52 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [0,1,0,0,1,0|2,0,0]=4 53 B7R0.13 COC(C)(C)C(C)=O S10204 [0,1,0,0,1,0|2,0,0]=4 54 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O F53739 [0,1,0,0,0,1|1,0,0]=3 55 B9R0.22 COC(=O)CC(C)(C)C#N AT13971 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C W16415 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69607 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.44 C=CCC(=O)CC(C)(C)C F30715 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.44 CONC(=O)OC(C)(C)C O12143 [0,2,0,0,0,0|2,0,0]=4 61 B9R0.72 CN[C@H](C(=O)O)C(C)(C)O AC1786 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.80 CC(C)(C)[C@](C)(N)C(=O)O AT23409 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.58 C[C@](O)(CCO)CC(=O)O AT21014 [0,2,0,0,0,0|2,0,0]=4 64 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.20 CC(=O)CC1CC1 N12620 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.19 O=C(O)C1(Cl)CC1 96431 [0,0,0,1,1,0|2,0,0]=4 70 B7R1.19 [2H]C1(C(=O)O)CC1 D99317 [0,0,0,1,1,0|2,0,0]=4 71 B9R1.10 CC1(C)CCC(=O)NC1 55120 [0,0,0,1,0,1|2,0,0]=4 72 B9R1.164 CC1(O)CC(C(=O)O)C1 27418 [0,0,0,1,0,1|2,0,0]=4 73 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.138 CC1(C)CNC(=O)[C@H]1N AT19091 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.138 CC1(C)CNC(=O)[C@H]1O AT19033 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.169 CC1(C)C[C@@]1(Br)C(=O)O AT12983 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.169 CC1(C)C[C@@]1(F)C(=O)O AT12982 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.169 CC1(C)C[C@]1(C)C(=O)O AT12979 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.125 C[C@]1(CO)COC(=O)N1 AT13637 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.171 NC1(CC(=O)O)COC1 P13084 [0,1,0,1,0,0|2,0,0]=4 82 B5R0.5 CC(C)C(=O)O A11457 [1,0,0,0,1,0|1,0,0]=3 83 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,0,0,0,1,0|1,0,1]=4 84 B5R0.5 C[C@H](F)C(=O)O 36890 [1,0,0,0,1,0|2,0,0]=4 85 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,0,0,0,1,0|2,0,0]=4 86 B5R0.5 [2H]C(=O)N(C)C D99052 [1,0,0,0,1,0|1,0,1]=4 87 B7R0.6 CC(=S)NCC(=O)O D92690 [1,0,0,0,0,1|2,0,0]=4 88 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [1,0,0,0,0,1|1,0,1]=4 89 B9R0.56 CC(=O)SCC[N+](C)(C)C C15407 [0,0,0,0,0,2|1,0,0]=3 90 B9R0.56 C[Si](C)(C)CCOC(=O)Cl S11034 [0,0,0,0,0,2|2,0,0]=4