0 B6R0.5 C=CC[Si](C)(C)C 13670 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 CC#C[Si](C)(C)C 13671 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.5 CC(C)(C)CC=O 3076 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.5 CC(C)(C)CCO 3096 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.5 CS(=O)(=O)CCN 35369 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.5 C[N+](C)(C)CCO 26426 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.5 C[Si](C)(C)CCO 2617 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.5 C[Si](C)(C)N=C=O 35917 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.5 C[Si](C)(C)N=[N+]=[N-] 18540 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.5 C[Sn](C)(C)N=[N+]=[N-] 26370 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.5 OCCC(F)(F)F 29002 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CC(=O)NCO 11062 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CC(Br)CCBr 3866 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CC(C)=CCBr 35170 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(C)CCI 3950 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CC(C)CNN 18739 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CC(N)CCO 29198 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CCCC(C)N 26317 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CCC[C@@H](C)O 6721 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCC[C@H](C)O 6719 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CCNC(C)C 10283 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CN(C)CC=O 26115 [1,0,0,0,0,0|0,0,3]=4 22 B5R0.1 CN(C)CCS 35662 [1,0,0,0,0,0|0,1,1]=3 23 B5R0.1 C[C@@H](O)CCO 6724 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 C[C@H](O)CCO 6722 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 O=C(O)CCO 12598 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 O=[N+]([O-])CCO 14208 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.4 C#CC(C)(C)C 12530 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.4 C#C[Si](C)(C)C 12912 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.4 C=C[N+](C)(C)C 13126 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.4 C=C[Si](C)(C)C 17258 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.4 CC(C)(C)C#N 29032 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.4 CC(C)(C)C=O 1910 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.4 CC(C)(C)CN 28998 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.4 CC(C)(C)N=O 45117 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.4 CC(C)(C)NN 35993 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.4 CC(C)(C)ON 19621 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.4 CC(C)(N)CN 28209 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.4 CC(C)(N)CO 2208 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.4 CC(C)(O)CCl 3675 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.4 CC(C)(O)CN 32121 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.4 CC(C)(S)CN 28945 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.4 CC(F)(F)CO 35038 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.4 CCC(C)(C)O 21405 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.4 C[Si](C)(C)C#N 16763 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.4 C[Si](C)(C)CBr 13669 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.4 C[Si](C)(C)CCl 13668 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.4 C[Si](C)(Cl)CCl 13667 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.4 [Li]C[Si](C)(C)C 18144 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.9 CC(C)(C)CB(O)O 29491 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.9 CC(C)(C)CC(=O)Cl 2093 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.9 CC(C)(O)CC(=O)O 6288 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.9 CC(O)CC(C)(C)O 35284 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.9 CC(O)C[N+](C)(C)C 44871 [0,1,0,0,0,0|0,0,0]=1 54 B7R1.14 CC1(C)CCCN1 22249 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.14 CC1(C)COC=N1 19647 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.14 CC1(O)CCCC1 29357 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.14 C[Si]1(C)CCCC1 28986 [0,0,0,1,0,0|2,0,0]=3 58 B4R0.1 CC(C)CI 3951 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CC=C(C)C 2026 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.1 CCC(C)Br 3753 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 CCC(C)I 3940 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 CCC(C)O 6718 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 CCN(C)C 10322 [2,0,0,0,0,0|0,0,1]=3 64 B4R0.1 CC[C@@H](C)N 6741 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 CC[C@@H](C)O 6717 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 CC[C@H](C)N 6743 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.1 CNC(C)C 10279 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.1 C[C@@H](Cl)CO 8287 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 C[C@@H](N)CO 9884 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 C[C@@H](O)CO 5857 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 C[C@H](Cl)CO 8285 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 C[C@H](N)CO 5710 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 C[C@H](O)CO 5853 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 C#CCCO 13071 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.2 C=CCCO 18909 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.2 CC#CCO 13061 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.2 CCCCBr 3752 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.2 CCCCI 3939 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.2 CNCCCl 35179 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.2 CNCCN 4020 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.2 COCCBr 2138 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.2 COCCCl 1911 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.2 COCCO 35138 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.2 CSCCCl 35891 [2,0,0,0,0,0|2,0,0]=4 85 B4R0.2 CSCCN 19131 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.2 CSCCO 10846 [2,0,0,0,0,0|1,0,0]=3 87 B4R0.2 C\C=C\CO 21075 [2,0,0,0,0,0|1,0,1]=4 88 B4R0.2 N#CCCO 22156 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.2 NNCCO 45109 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.3 CC(C)(C)Br 3814 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.3 CC(C)(C)N 18255 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.3 CC(C)(C)O 3012 [2,0,0,0,0,0|1,0,0]=3 93 B4R0.3 CC(C)(C)[O-] 18949 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.3 CC(C)(C)[O-] 29323 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.3 C[N+](C)(C)C 29006 [2,0,0,0,0,0|0,0,0]=2 96 B4R0.3 C[N+](C)(C)C 45105 [2,0,0,0,0,0|0,0,0]=2 97 B4R0.3 C[Si](C)(C)C 23760 [2,0,0,0,0,0|1,0,0]=3 98 B4R0.3 C[Si](C)(C)O 26363 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.1 CCC(C)CCO 35939 [1,1,0,0,0,0|1,0,0]=3 100 B6R0.1 COC(C)CCO 35942 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.1 C[C@H](CO)CCO 30370 [1,1,0,0,0,0|1,0,0]=3 102 B6R0.1 OCC[C@@H](O)CO 29018 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.2 CC(C)CB(O)O 7976 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.2 CC(N)CN(C)C 21318 [1,1,0,0,0,0|1,0,1]=4 105 B6R0.2 CN(C)CC(=O)O 21520 [1,1,0,0,0,0|0,0,2]=4 106 B6R0.2 C[C@@H](O)C[C@@H](C)O 6726 [1,1,0,0,0,0|2,0,0]=4 107 B6R0.2 C[C@H](N)CN(C)C 31826 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.2 C[C@H](O)C[C@H](C)O 6728 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 CC(C)[C@@H](N)CO 5789 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.3 CC(C)[C@H](N)CO 5790 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.4 CC(C)NCCN 8612 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.4 CN(C)CCCCl 20698 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.4 CNCCC(C)C 16229 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.7 CC(C)(C)C(=O)O 16826 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.7 CC(C)(C)C(O)=S 15276 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.7 CN(C)[Si](C)(C)C 35561 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.7 CP(Cl)C(C)(C)C 18817 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.7 C[Si](C)(C)C(F)F 36201 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.8 CC(C)(CO)CO 22258 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.8 CNC(C)(C)CO 35872 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.8 COC(C)(C)OC 9768 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.21 C[Si](C)(C)CCOCCl 7073 [0,2,0,0,0,0|1,0,0]=3 123 B8R0.29 CC(C)(C)NCC(=O)O 32009 [0,2,0,0,0,0|1,0,1]=4 124 B8R0.29 CC(C)(C)NCC(=O)O 32035 [0,2,0,0,0,0|1,0,1]=4 125 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 15620 [0,2,0,0,0,0|1,0,1]=4 126 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O 26243 [0,2,0,0,0,0|1,0,1]=4 127 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 16885 [0,2,0,0,0,0|1,0,1]=4 128 B8R0.30 C[N+](C)(C#P=O)CCO 11582 [0,2,0,0,0,0|0,0,1]=3 129 B6R1.2 BrC1CCOC1 26260 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.2 CC1CCNC1 19859 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.2 CN1CCCC1 11143 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.2 NC1CCOC1 20203 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.2 NC1CCOC1 24733 [1,0,0,1,0,0|2,0,0]=4 134 B6R1.2 N[C@@H]1CCOC1 12612 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.2 N[C@@H]1CCOC1 15496 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.2 N[C@H]1CCOC1 15126 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.2 O=C1CCOC1 15127 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.2 O[C@@H]1CCOC1 11341 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.2 O[C@@H]1CCOC1 7071 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.2 O[C@H]1CCOC1 16209 [1,0,0,1,0,0|2,0,0]=4 141 B6R1.3 NCCN1CC1 14229 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.3 OCCC1CC1 28819 [1,0,0,1,0,0|1,0,0]=3 143 B6R1.7 NC1(CO)CC1 24736 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.7 NC1(CO)CC1 25828 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.72 CC1(C)CCCNC1 10316 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.72 CC1(C)CCNCC1 36087 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.72 CC1(C)CCNCC1 8038 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.72 CC1(C)CNCCN1 17283 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.72 C[N+]1([O-])CCOCC1 16095 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.72 C[N+]1([O-])CCOCC1 16096 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.72 C[N+]1([O-])CCOCC1 18767 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.72 C[Si]1(C)CCCCC1 27252 [0,1,0,1,0,0|2,0,0]=4