0 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(C)NC(=S)N PH011066 [0,0,0,0,0,0|3,1,0]=4 2 B7R0.9 CC(O)CC(C)(C)S CDS012171 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.9 CS(=O)(=O)CC(=O)N S614475 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.9 CS(=O)(=O)CC(=O)O CDS014245 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 C[Sn](C)(C)O[N+](=O)[O-] S392324 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.9 NS(=O)(=O)CC(=O)O CDS012767 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.9 O=C(O)CS(=O)(=O)O S576611 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.2 C=C(C)CC(C)C R289256 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.2 CC(=N)CC(=O)C S366234 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.2 CC(=O)NC(C)C S378992 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.2 CC(=S)CC(=O)N S704164 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.2 CC(Cl)CC(=O)O S419621 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.2 CN(C)CC(=O)Cl CDS013657 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.2 NC(=O)CC(=O)O S937436 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.5 C(=C\C(C)(C)C)\C S411922 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.5 C(=C\C(C)(C)C)\C S437441 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.5 C=CCC(C)(C)O S437506 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.5 CC(C)(C)/C=N/O PH009800 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.5 CC(C)(C)CC#N PH014763 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.5 CC(C)(C)CCCl S416630 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.5 CC(C)(F)CCO PH018175 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.5 CNCC(C)(C)C CBR00855 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.5 CNCC(C)(C)C CDS011416 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.24 C=C(CO)CC(C)(C)C S448338 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.24 C=C(CO)C[Si](C)(C)C T296767 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.24 C=CC(=O)NC(C)(C)C S601497 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.24 CC(C)(C)NC(=O)CI PH000979 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.24 CC(C)(C)OC(=O)CN T243442 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.27 C=C(C(=O)C)[Si](C)(C)C T227439 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.33 CC(C)(C)CS(=O)(=O)Cl CDS023332 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.34 CCC(C)(C)OC(=O)C S851981 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.34 CNC(C)(C)CC(C)O PH007127 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.56 C[N+](C)(C)CC1CC1 S359912 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,0,0,1,0,0|1,0,0]=2 44 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,0,0,0,1,0|3,0,0]=4 45 B6R0.7 CC(=O)C(C)(C)Cl S304212 [0,0,0,0,1,0|3,0,0]=4 46 B6R0.7 CC(C)(C)C(=N)N S168351 [0,0,0,0,1,0|3,0,0]=4 47 B6R0.7 CC(C)(N)C(=O)N CBR00900 [0,0,0,0,1,0|3,0,0]=4 48 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,0,0,0,1,0|2,0,1]=4 49 B8R0.29 C=C(Cl)CNC(C)(C)C PH010556 [0,0,0,0,0,1|3,0,0]=4 50 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [0,0,0,0,0,1|1,0,0]=2 51 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [0,0,0,0,0,1|1,0,0]=2 52 B8R0.29 CC(C)(C)OCC(=O)O CDS002729 [0,0,0,0,0,1|1,0,0]=2 53 B8R0.29 CC(C)(N)CCC(=O)O T160458 [0,0,0,0,0,1|2,0,0]=3 54 B8R0.29 CC(C)(O)C#CC(=O)O CBR01106 [0,0,0,0,0,1|2,0,1]=4 55 B8R0.29 CS(=O)(=O)NCC(=O)O CBR00180 [0,0,0,0,0,1|3,0,0]=4 56 B5R0.1 C(=O)CC(C)O CDS019977 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 C(=O)NC(C)C S378380 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CN(C)CCO S573124 [2,0,0,0,0,0|0,0,2]=4 59 B5R0.1 CNCC(=O)C CBR02406 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 COCC(=O)N S371874 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 O=C(O)C[Hg]Cl S881910 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.2 C=C(CO)CC(C)C T296279 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 CC(C)CC(=O)C#N R260371 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.2 CCC(C)CC(=O)Cl PH016167 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.2 CCC(N)CC(=O)O CDS006113 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.2 CN(C)CC(=O)NN CDS000357 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.2 CNC(C)CC(=O)N CBR01535 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.2 COC(=O)CC(=O)O CDS001491 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.2 COC(=O)CC(C)Cl S559458 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.2 COC(=O)NC(C)C PH006940 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [1,1,0,0,0,0|0,0,2]=4 76 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.8 C(=C/[Si](C)(C)C)\CO T278297 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.8 C(=C\[Si](C)(C)C)\CO T220086 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.8 CC(C)(C)SCCO R395358 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.8 CCCC[N+](C)(C)C S949825 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.8 C[N+](C)(C)CCCO S937398 [1,1,0,0,0,0|0,0,1]=3 82 B7R0.11 C=CCC(C)(C)CO T273422 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.11 CCC[N+](C)(C)CC S765708 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.14 C=CC(O)[Si](C)(C)C R173983 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.13 CC(Br)(CBr)C(=O)O S881317 [0,1,0,0,1,0|2,0,0]=4 86 B7R0.13 CC(C)(C#N)C(=O)O CDS015871 [0,1,0,0,1,0|1,0,1]=4 87 B7R0.13 CCC(C)(C)C(=O)Cl CDS001197 [0,1,0,0,1,0|2,0,0]=4 88 B7R0.13 COC(C)(C)C(=O)O CDS009439 [0,1,0,0,1,0|1,0,0]=3 89 B7R0.13 C[C@](O)(CBr)C(=O)O PH008021 [0,1,0,0,1,0|2,0,0]=4 90 B9R0.10 C(=C(\C)/[Sn](C)(C)C)\C(=O)O T243582 [0,1,0,0,0,1|1,0,1]=4 91 B9R0.10 C/C(=C/C(=O)O)/[Sn](C)(C)C T288241 [0,1,0,0,0,1|1,0,1]=4 92 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O CDS005404 [0,1,0,0,0,1|1,0,0]=3 93 B9R0.21 COC(=O)C#CC(C)(C)C T330116 [0,1,0,0,0,1|1,0,1]=4 94 B9R0.21 COC(=O)CSC(C)(C)C EME00019 [0,1,0,0,0,1|1,0,0]=3 95 B9R0.57 CC(C)(C)NC(=O)C(=O)O CBR00207 [0,1,0,0,0,1|1,0,1]=4 96 B9R0.57 CC(CC(C)(C)N)C(=O)O T160466 [0,1,0,0,0,1|2,0,0]=4 97 B9R0.44 C=COC(=O)C[N+](C)(C)C R240613 [0,2,0,0,0,0|0,0,0]=2 98 B9R0.44 C=COC(=O)C[N+](C)(C)C R240966 [0,2,0,0,0,0|0,0,0]=2 99 B9R0.44 CCOC(=O)CC(C)(C)C S547093 [0,2,0,0,0,0|1,0,0]=3 100 B9R0.44 C[N+](C)(C)CC(O)CC#N S343781 [0,2,0,0,0,0|1,0,1]=4 101 B9R0.72 N(C(C(=O)O)C(O)(C)C)C PH008840 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.11 CC(=O)C(C)(C)CC(=O)O S950106 [0,2,0,0,0,0|1,0,0]=3 103 B7R1.2 CC1COC(=O)C1 PH007953 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.2 CC1COC(=O)N1 CBR01603 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.2 O=C1CC(CO1)O S672874 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.12 CC1CC1C(=O)N EME00444 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.20 CC(=O)CC1CC1 PH014420 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.20 O=C(O)CC1CC1 CDS000888 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.26 CC(C)(C)C1CO1 CDS001448 [1,0,0,1,0,0|1,0,1]=4 112 B9R1.36 CC1(CC(=O)C(C1)O)C T239054 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.185 CC1(CC1C(=O)NN)C CBR01561 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.185 CCC(=O)C1CC1(C)C CDS023554 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.125 CC1(COC(=O)N1)CO S756229 [0,1,0,1,0,0|2,0,0]=4 116 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [1,0,0,0,0,1|1,0,1]=4 117 B7R0.6 CC(C)CCC(=O)Cl PH015411 [1,0,0,0,0,1|2,0,0]=4 118 B7R0.6 CC(C)COC(=O)N S362840 [1,0,0,0,0,1|2,0,0]=4 119 B7R0.6 CC(C)SCC(=O)O OTV000315 [1,0,0,0,0,1|1,0,0]=3 120 B7R0.6 CN(C)CCC(=O)O CDS000423 [1,0,0,0,0,1|0,0,1]=3 121 B7R0.6 CN(C)CCC(=O)O CDS013778 [1,0,0,0,0,1|0,0,1]=3 122 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [1,0,0,0,0,1|1,0,0]=3 123 B9R0.56 CC(=O)O[Hg]CC(C)(C)C S881805 [0,0,0,0,0,2|2,0,0]=4 124 B9R0.56 CC(C)(C)SCCC(=O)O PH010949 [0,0,0,0,0,2|1,0,0]=3