0 B4R0.1 C#CC(C)N 6477AH [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=CC(=O)[O-] 7016AF [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C=CC(C)O 6444AE [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(=O)O[Cu] X3614 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(=O)O[Tl] 6845AF [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(Br)C#N X7909 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CC(C)=CBr X6156 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 CC(C)CN 8086AL [0,0,0,0,0,0|1,0,1]=2 8 B4R0.1 CC(Cl)C#N 2066AL [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(O)CCl 7057AF [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CO[SiH](C)C 3278AL [0,0,0,0,0,0|2,1,0]=3 11 B4R0.1 NCC(F)F 9861AE [0,0,0,0,0,0|3,0,1]=4 12 B3R0.1 CCCN 8883AL [1,0,0,0,0,0|1,0,1]=3 13 B3R0.1 CCCS 7738AJ [1,0,0,0,0,0|0,1,1]=3 14 B3R0.1 CCNO X5655 [1,0,0,0,0,0|1,0,1]=3 15 B3R0.1 ClCCI 4811AL [1,0,0,0,0,0|2,0,1]=4 16 B3R0.1 FCCI V7660 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.1 N#CCI 8711AJ [1,0,0,0,0,0|2,0,1]=4 18 B3R0.1 NCCN 7518AA [1,0,0,0,0,0|2,0,1]=4 19 B3R0.1 NCCN 8659AJ [1,0,0,0,0,0|2,0,1]=4 20 B3R0.2 C=C(C)C 5301AF [1,0,0,0,0,0|0,0,1]=2 21 B3R0.2 CC(=N)N 6978AL [1,0,0,0,0,0|2,0,1]=4 22 B3R0.2 CC(=O)O 6852AF [1,0,0,0,0,0|1,0,1]=3 23 B3R0.2 CC(=O)[O-] 6843AF [1,0,0,0,0,0|1,0,1]=3 24 B3R0.2 ClC(Br)Br 7603AL [1,0,0,0,0,0|3,0,0]=4 25 B3R0.2 NC(N)=O G570 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.2 O=C([O-])O 6528AH [1,0,0,0,0,0|2,0,1]=4 27 B3R0.2 O=C([O-])[O-] 5334AF [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 O=C([O-])[O-] 7328AJ [1,0,0,0,0,0|2,0,1]=4 29 B3R0.2 O=C([O-])[O-] 7332AJ [1,0,0,0,0,0|2,0,1]=4 30 B3R0.2 O=C([O-])[O-] 8472AF [1,0,0,0,0,0|2,0,1]=4 31 B3R0.2 O=C([O-])[O-] 8476AF [1,0,0,0,0,0|2,0,1]=4 32 B3R0.2 O=C([O-])[O-] 8478AF [1,0,0,0,0,0|2,0,1]=4 33 B3R0.2 O=C([O-])[O-] V0893 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.2 O=C([O-])[O-] X4664 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.2 O=P(=O)[O-] V1138 [1,0,0,0,0,0|3,0,0]=4 36 B3R0.2 O=S([O-])[O-] 5207AF [1,0,0,0,0,0|3,0,0]=4 37 B3R0.2 O=S([O-])[O-] 8205AF [1,0,0,0,0,0|3,0,0]=4 38 B3R0.2 O=[N+]([O-])[O-] X3597 [1,0,0,0,0,0|3,0,0]=4 39 B3R0.2 O=[Si](O)O 8695AF [1,0,0,0,0,0|2,1,0]=4 40 B3R0.2 O=[Si]([O-])[O-] W0045 [1,0,0,0,0,0|2,1,0]=4 41 B3R0.2 O=[Si]([O-])[O-] Z1950 [1,0,0,0,0,0|2,1,0]=4 42 B3R0.2 [BH3-][NH+](C)C 8584AJ [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 C#CCC(C)C 8172AJ [0,1,0,0,0,0|1,0,1]=3 44 B5R0.1 C=CNC(C)=O 8689AL [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CC(C)=CCBr Z1911 [0,1,0,0,0,0|1,0,1]=3 46 B5R0.1 CC(C)CCI X5313 [0,1,0,0,0,0|1,0,1]=3 47 B5R0.1 CC(C)CNN Z1645 [0,1,0,0,0,0|1,0,1]=3 48 B5R0.1 CC(C)OC=O 7262AF [0,1,0,0,0,0|0,0,0]=1 49 B5R0.1 CC(N)CCO Z2685 [0,1,0,0,0,0|1,0,2]=4 50 B5R0.1 CN(C)CC=O 4924AA [0,1,0,0,0,0|1,0,0]=2 51 B5R0.1 COCC(C)N 0442AC [0,1,0,0,0,0|1,0,2]=4 52 B5R0.1 COC[C@@H](C)N W7467 [0,1,0,0,0,0|1,0,2]=4 53 B5R0.1 CSC=[N+](C)C 8446AL [0,1,0,0,0,0|1,1,0]=3 54 B5R0.1 C[C@H](N)CCO W7371 [0,1,0,0,0,0|1,0,2]=4 55 B5R0.3 C=CC(=O)NC 3091AA [0,1,0,0,0,0|2,0,1]=4 56 B5R0.3 C=CC(C)C#N 5710AL [0,1,0,0,0,0|1,0,1]=3 57 B5R0.3 C=CC(C)CC 6094AL [0,1,0,0,0,0|1,0,0]=2 58 B5R0.3 C=CC(O)CC 7733AJ [0,1,0,0,0,0|2,0,0]=3 59 B5R0.3 C=CC(O)CO V0531 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.3 C=C[C@@H](N)CO 3384AB [0,1,0,0,0,0|2,0,0]=3 61 B5R0.3 C=C[C@H](N)CO W4532 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.3 CCC(C)C=O 7969AJ [0,1,0,0,0,0|0,0,0]=1 63 B5R0.3 CCC(C)CC 6117AL [0,1,0,0,0,0|1,0,1]=3 64 B5R0.3 CCC(C)CI 4886AL [0,1,0,0,0,0|1,0,1]=3 65 B5R0.3 CCC(C)NC 9511AE [0,1,0,0,0,0|1,0,1]=3 66 B5R0.3 CCC(C)NN 0007AD [0,1,0,0,0,0|2,0,0]=3 67 B5R0.3 CCC(O)CN 6349AA [0,1,0,0,0,0|2,0,1]=4 68 B5R0.3 CCN(C)CC 7490AH [0,1,0,0,0,0|2,0,1]=4 69 B5R0.3 CC[C@H](O)CO 1422AC [0,1,0,0,0,0|1,0,2]=4 70 B5R0.3 CON(C)C=O 3547AB [0,1,0,0,0,0|1,0,0]=2 71 B5R0.3 C\C=C(/C)C#N 5703AL [0,1,0,0,0,0|1,0,2]=4 72 B5R0.3 NC(CO)CO V0534 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.3 NCC(O)CCl Z2000 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.3 O=CC(O)CO 6635AH [0,1,0,0,0,0|1,0,0]=2 75 B5R0.3 OCC(S)CS F878 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.4 C=CC(C)(C)C 5869AL [0,1,0,0,0,0|1,0,0]=2 77 B5R0.4 C=CC(F)(F)Br 5803AB [0,1,0,0,0,0|3,0,0]=4 78 B5R0.4 C=CS(C)(=O)=O V5535 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.4 C=C[N+](C)(C)C 9325AL [0,1,0,0,0,0|2,0,0]=3 80 B5R0.4 C=C[Si](C)(Cl)Cl 4705AA [0,1,0,0,0,0|2,1,0]=4 81 B5R0.4 CC(C)(C)CN 8004AA [0,1,0,0,0,0|1,0,1]=3 82 B5R0.4 CC(C)(C)NO B804 [0,1,0,0,0,0|1,0,1]=3 83 B5R0.4 CC(C)(F)CBr 5101AJ [0,1,0,0,0,0|1,0,1]=3 84 B5R0.4 CC(C)(N)CO 4971AH [0,1,0,0,0,0|0,0,2]=3 85 B5R0.4 CC(F)(F)CN V8232 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.4 CCC(C)(C)Br 5515AL [0,1,0,0,0,0|1,0,1]=3 87 B5R0.4 CCC(C)(C)Cl 5561AL [0,1,0,0,0,0|1,0,1]=3 88 B5R0.4 CO[Si](C)(C)C X3592 [0,1,0,0,0,0|2,1,0]=4 89 B5R0.4 C[N+](C)(C)CI 2479AE [0,1,0,0,0,0|2,0,1]=4 90 B5R0.4 C[Si](C)(C)CBr 4095AL [0,1,0,0,0,0|1,1,1]=4 91 B5R0.4 C[Si](C)(C)CO X6387 [0,1,0,0,0,0|0,1,2]=4 92 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [0,1,0,0,0,0|1,1,1]=4 93 B5R0.4 O=CC(F)(F)F 3062AE [0,1,0,0,0,0|2,0,0]=3 94 B5R0.5 CC(=O)N(C)C B355 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.5 CC(=O)[C@H](C)N 2350AA [0,1,0,0,0,0|1,0,0]=2 96 B5R0.5 CC(C)C(=O)[O-] 7249AF [0,1,0,0,0,0|0,0,0]=1 97 B5R0.5 CC(C)C(C)O 6096AL [0,1,0,0,0,0|0,0,2]=3 98 B5R0.5 CC(C)S(=O)[O-] 4057AH [0,1,0,0,0,0|1,0,0]=2 99 B5R0.5 CC(Cl)C(N)=O 9013AD [0,1,0,0,0,0|1,0,0]=2 100 B5R0.5 CC(N)C(N)=O 9942AE [0,1,0,0,0,0|1,0,0]=2 101 B5R0.5 CC(N)C(N)=O V6080 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.5 CC(O)C(=O)[O-] 7038AF [0,1,0,0,0,0|1,0,0]=2 103 B5R0.5 CC(O)C(=O)[O-] O583 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.5 CC(S)C(C)S 9352AJ [0,1,0,0,0,0|1,1,1]=4 105 B5R0.5 CN(C)C(=S)S 7714AL [0,1,0,0,0,0|1,1,0]=3 106 B5R0.5 C[C@@H](N)C(N)=O Z4641 [0,1,0,0,0,0|1,0,0]=2 107 B5R0.5 NC(=O)C(=O)[O-] Z3402 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.5 NC(=O)C(F)Cl 3273AE [0,1,0,0,0,0|2,0,0]=3 109 B5R0.5 O=C(O)C(Br)Br 6811AF [0,1,0,0,0,0|2,0,0]=3 110 B5R1.2 BrC1CNC1 7707AB [0,0,0,1,0,0|2,0,1]=4 111 B5R1.2 CC1CNC1 W9623 [0,0,0,1,0,0|1,0,1]=3 112 B5R1.2 ClC1CCC1 Z7366 [0,0,0,1,0,0|2,0,1]=4 113 B5R1.2 ClC1CNC1 3365AB [0,0,0,1,0,0|2,0,1]=4 114 B5R1.2 FC1CNC1 X3056 [0,0,0,1,0,0|2,0,1]=4 115 B5R1.2 NC1CNC1 0554AA [0,0,0,1,0,0|2,0,1]=4 116 B5R1.2 NC1COC1 6668AB [0,0,0,1,0,0|1,0,2]=4 117 B5R1.2 OC1CNC1 W6360 [0,0,0,1,0,0|2,0,1]=4 118 B5R1.3 C=CC1CO1 7293AL [0,0,0,1,0,0|2,0,0]=3 119 B5R1.3 CC[C@H]1CO1 7482AJ [0,0,0,1,0,0|2,0,1]=4 120 B5R1.3 NCC1CC1 Y1835 [0,0,0,1,0,0|1,0,1]=3 121 B5R1.5 CC1(N)CC1 W9186 [0,0,0,1,0,0|2,0,1]=4 122 B2R0.1 CC#N 7219AA [2,0,0,0,0,0|1,0,1]=4 123 B2R0.1 CCN 7900AL [2,0,0,0,0,0|1,0,0]=3 124 B2R0.1 CNC 7704AL [2,0,0,0,0,0|1,0,0]=3 125 B2R0.1 N=CN 7944AL [2,0,0,0,0,0|2,0,0]=4 126 B2R0.1 O=B[O-] 5073AF [2,0,0,0,0,0|2,0,0]=4 127 B2R0.1 O=C[O-] 8297AF [2,0,0,0,0,0|1,0,0]=3 128 B2R0.1 O=C[O-] 8804AF [2,0,0,0,0,0|1,0,0]=3 129 B2R0.1 O=N[O-] 8792AF [2,0,0,0,0,0|2,0,0]=4 130 B2R0.1 O=[AlH3][O-] 5048AF [2,0,0,0,0,0|2,0,0]=4 131 B2R0.1 O=[Hf]=O 8716AF [2,0,0,0,0,0|2,0,0]=4 132 B2R0.1 O=[Ru]=O 9044AJ [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 C#CCCI 6186AJ [1,1,0,0,0,0|1,0,1]=4 134 B4R0.2 C#CCCN 6476AH [1,1,0,0,0,0|1,0,1]=4 135 B4R0.2 C=CCCC 7306AF [1,1,0,0,0,0|1,0,0]=3 136 B4R0.2 C=CCCN 2362AH [1,1,0,0,0,0|1,0,0]=3 137 B4R0.2 C=CSCC 7899AL [1,1,0,0,0,0|1,0,0]=3 138 B4R0.2 CCC#CI 4805AL [1,1,0,0,0,0|1,0,1]=4 139 B4R0.2 CCCC#N A365 [1,1,0,0,0,0|1,0,1]=4 140 B4R0.2 CCCCC 8942AJ [1,1,0,0,0,0|1,0,1]=4 141 B4R0.2 CCCCN 7306AL [1,1,0,0,0,0|1,0,1]=4 142 B4R0.2 CCCCS 4787AL [1,1,0,0,0,0|0,1,1]=4 143 B4R0.2 CCNCC 7648AL [1,1,0,0,0,0|1,0,1]=4 144 B4R0.2 CCNCC 7649AL [1,1,0,0,0,0|1,0,1]=4 145 B4R0.2 CCNCC 7650AL [1,1,0,0,0,0|1,0,1]=4 146 B4R0.2 CCOC=N M412 [1,1,0,0,0,0|1,0,0]=3 147 B4R0.2 CNCCN X9276 [1,1,0,0,0,0|1,0,1]=4 148 B4R0.2 CSCCO U461 [1,1,0,0,0,0|0,0,2]=4 149 B4R0.2 C\C=C\CC 7309AF [1,1,0,0,0,0|1,0,0]=3 150 B4R0.2 C\C=C\OC 1641AL [1,1,0,0,0,0|0,0,2]=4 151 B4R0.2 NCCCN 7173AL [1,1,0,0,0,0|1,0,1]=4 152 B4R0.2 NCCCO 5983AL [1,1,0,0,0,0|0,0,2]=4 153 B4R0.2 NCCON W5869 [1,1,0,0,0,0|2,0,0]=4 154 B4R0.2 NOCCO 5251AJ [1,1,0,0,0,0|2,0,0]=4 155 B4R0.3 CC(C)(F)F 3040AE [1,1,0,0,0,0|1,0,0]=3 156 B4R0.3 CS(=O)(=O)[O-] 8205AL [1,1,0,0,0,0|2,0,0]=4 157 B4R0.3 CS(=O)(=O)[O-] 8285AF [1,1,0,0,0,0|2,0,0]=4 158 B4R0.3 CS(=O)(=O)[O-] V1498 [1,1,0,0,0,0|2,0,0]=4 159 B4R0.3 CS(C)(=N)=O 4730AD [1,1,0,0,0,0|1,0,0]=3 160 B4R0.3 C[As](C)(=O)O 6874AF [1,1,0,0,0,0|1,0,0]=3 161 B4R0.3 C[N+](C)(C)C 0656AP [1,1,0,0,0,0|1,0,1]=4 162 B4R0.3 C[N+](C)(C)C 7123AF [1,1,0,0,0,0|1,0,1]=4 163 B4R0.3 C[N+](C)(C)C 9123AL [1,1,0,0,0,0|1,0,1]=4 164 B4R0.3 C[N+](C)(C)C 9124AL [1,1,0,0,0,0|1,0,1]=4 165 B4R0.3 C[N+](C)(C)C 9126AL [1,1,0,0,0,0|1,0,1]=4 166 B4R0.3 C[N+](C)(C)C 9127AL [1,1,0,0,0,0|1,0,1]=4 167 B4R0.3 C[N+](C)(C)C G456 [1,1,0,0,0,0|1,0,1]=4 168 B4R0.3 C[Pt](C)(C)I 7052AA [1,1,0,0,0,0|1,0,1]=4 169 B4R0.3 C[Si](C)(C)[O-] X7202 [1,1,0,0,0,0|0,1,1]=4 170 B6R0.1 C=CC(O)CCC I123 [0,2,0,0,0,0|2,0,0]=4 171 B6R0.1 CC(CO)CCN 2620AL [0,2,0,0,0,0|0,0,2]=4 172 B6R0.1 CCC(C)N=C=O 4892AD [0,2,0,0,0,0|0,0,1]=3 173 B6R0.1 CCCC(C)CCl 4812AL [0,2,0,0,0,0|1,0,1]=4 174 B6R0.1 C[C@@H](CO)CCN 4158AL [0,2,0,0,0,0|0,0,2]=4 175 B6R0.2 CC(=O)NC(C)=O 7247AF [0,2,0,0,0,0|1,0,1]=4 176 B6R0.2 CC(=O)NC(C)C X8984 [0,2,0,0,0,0|0,0,0]=2 177 B6R0.2 CC(C)CC(C)N X3873 [0,2,0,0,0,0|1,0,1]=4 178 B6R0.2 CC(C)NC(N)=O X3415 [0,2,0,0,0,0|0,0,0]=2 179 B6R0.2 CC(C)OC(N)=O 7274AF [0,2,0,0,0,0|0,0,0]=2 180 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,2,0,0,0,0|1,0,0]=3 181 B6R0.2 CC(N)CC(=O)O 3162AL [0,2,0,0,0,0|1,0,0]=3 182 B6R0.2 CN(C)CC(N)=S 1262AJ [0,2,0,0,0,0|1,1,0]=4 183 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,2,0,0,0,0|1,0,0]=3 185 B6R0.3 C=C(C)C(=O)NC 3763AL [0,2,0,0,0,0|0,0,2]=4 186 B6R0.3 C=CN(C)C(C)=O V0612 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.3 CC(=O)C(=O)CBr W6757 [0,2,0,0,0,0|1,0,1]=4 188 B6R0.3 CC(=O)C(C)C#N 6171AB [0,2,0,0,0,0|0,0,1]=3 189 B6R0.3 CC(C)C(=O)CBr W4222 [0,2,0,0,0,0|0,0,0]=2 190 B6R0.3 CC(C)C(N)=NO 3115AC [0,2,0,0,0,0|0,0,1]=3 191 B6R0.3 CC(CN)C(=O)O B714 [0,2,0,0,0,0|0,0,0]=2 192 B6R0.3 CCC(=O)C(C)=O 7386AF [0,2,0,0,0,0|1,0,1]=4 193 B6R0.3 CCC(Br)C(=O)Cl 5533AL [0,2,0,0,0,0|1,0,0]=3 194 B6R0.3 CCC(Cl)C(=O)O 7236AF [0,2,0,0,0,0|1,0,0]=3 195 B6R0.3 CCC(O)C(=O)O Z2570 [0,2,0,0,0,0|1,0,0]=3 196 B6R0.3 CCC(O)C(C)C 8275AB [0,2,0,0,0,0|0,0,2]=4 197 B6R0.3 CC[C@H](N)C(N)=O V3235 [0,2,0,0,0,0|1,0,0]=3 198 B6R0.3 CN(C)C(=O)CN Z5718 [0,2,0,0,0,0|1,0,0]=3 199 B6R0.3 CN(C)C(=O)CO 4466AD [0,2,0,0,0,0|1,0,0]=3 200 B6R0.3 CN(C)C(=S)S[Na] 7049AF [0,2,0,0,0,0|1,1,0]=4 201 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,2,0,0,0,0|1,0,0]=3 202 B6R0.3 CNC(=O)C(F)Br 5096AE [0,2,0,0,0,0|2,0,0]=4 203 B6R0.3 CNC(=O)C(F)I 1593AF [0,2,0,0,0,0|2,0,0]=4 204 B6R0.3 CNC(C)C(=O)O 0549AP [0,2,0,0,0,0|0,0,0]=2 205 B6R0.3 COC(=N)C(C)C V5712 [0,2,0,0,0,0|0,0,1]=3 206 B6R0.3 COC(C)C(C)O V6491 [0,2,0,0,0,0|0,0,2]=4 207 B6R0.3 CON(C)C(=O)Cl 8593AL [0,2,0,0,0,0|1,0,0]=3 208 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,2,0,0,0,0|0,0,0]=2 209 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,2,0,0,0,0|0,0,0]=2 210 B6R0.3 C[C@H](CO)C(=O)O 9933AA [0,2,0,0,0,0|0,0,0]=2 211 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,2,0,0,0,0|1,0,0]=3 212 B6R0.3 NC(CCl)C(=O)O 1396AE [0,2,0,0,0,0|1,0,0]=3 213 B6R0.3 NCC(F)C(=O)O 5631AL [0,2,0,0,0,0|1,0,0]=3 214 B6R0.3 NCC(N)C(=O)O 3293AL [0,2,0,0,0,0|1,0,0]=3 215 B6R0.3 NCC(N)C(=O)O V0517 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.3 NCC(O)C(=O)O X2972 [0,2,0,0,0,0|1,0,0]=3 217 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [0,2,0,0,0,0|1,0,0]=3 218 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [0,2,0,0,0,0|1,0,0]=3 219 B6R0.3 O=C(O)C(=O)CBr 7040AD [0,2,0,0,0,0|1,0,1]=4 220 B6R0.4 C=COCC(C)C 8720AJ [0,2,0,0,0,0|1,0,0]=3 221 B6R0.4 CC(C)CN=C=O 6296AD [0,2,0,0,0,0|0,0,1]=3 222 B6R0.4 CC(C)SCCN 3448AF [0,2,0,0,0,0|1,0,1]=4 223 B6R0.4 CCCSC(C)C 8111AL [0,2,0,0,0,0|1,0,1]=4 224 B6R0.5 C=CCC(C)(C)O 1796AJ [0,2,0,0,0,0|1,0,0]=3 225 B6R0.5 C=CC[Si](C)(C)Cl 7041AL [0,2,0,0,0,0|1,1,0]=4 226 B6R0.5 C=CO[Si](C)(C)C 9191AJ [0,2,0,0,0,0|1,1,0]=4 227 B6R0.5 CC(C)(C)NC=O 8674AL [0,2,0,0,0,0|0,0,0]=2 228 B6R0.5 CC(C)(N)CCO 3154AE [0,2,0,0,0,0|0,0,2]=4 229 B6R0.5 CC(C)(O)CC#N 3965AD [0,2,0,0,0,0|1,0,1]=4 230 B6R0.5 CC(C)(O)CCBr W5746 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.5 CCCC(C)(C)C 5139AL [0,2,0,0,0,0|1,0,1]=4 232 B6R0.5 CCCC(C)(C)O 5708AL [0,2,0,0,0,0|1,0,1]=4 233 B6R0.5 CCOC(C)(C)C 7559AF [0,2,0,0,0,0|1,0,1]=4 234 B6R0.5 CNCC(C)(C)O 1773AJ [0,2,0,0,0,0|1,0,1]=4 235 B6R0.5 COCC(C)(C)O 1642AL [0,2,0,0,0,0|0,0,2]=4 236 B6R0.5 C[N+](C)(C)CC=O 0004AQ [0,2,0,0,0,0|1,0,0]=3 237 B6R0.5 C\C=N\C(C)(C)C 0877AC [0,2,0,0,0,0|1,0,0]=3 238 B6R0.8 C#CC(C)(N)CC X8885 [0,2,0,0,0,0|1,0,1]=4 239 B6R0.8 C#CC(C)(O)C=C 6093AL [0,2,0,0,0,0|1,0,1]=4 240 B6R0.8 CC(C)(C#N)CO 0005AB [0,2,0,0,0,0|0,0,2]=4 241 B6R0.8 CCC(C)(N)C#N Z4767 [0,2,0,0,0,0|1,0,1]=4 242 B6R0.8 CNC(C)(C)CO 5580AJ [0,2,0,0,0,0|0,0,2]=4 243 B6R0.8 COC(C)(C)CN 0561AA [0,2,0,0,0,0|1,0,1]=4 244 B6R0.8 COC(C)(C)CN 4739AC [0,2,0,0,0,0|1,0,1]=4 245 B6R0.8 O=CC(Br)(Br)CBr 2470AB [0,2,0,0,0,0|1,0,0]=3 246 B6R0.9 CC=C(CC)CC 6043AL [0,2,0,0,0,0|1,0,1]=4 247 B6R0.9 COC(CO)OC 3441AL [0,2,0,0,0,0|0,0,2]=4 248 B6R0.9 OCC(CO)CO 6412AB [0,2,0,0,0,0|0,0,2]=4 249 B6R0.7 C=C(Br)[Si](C)(C)C 3979AL [0,2,0,0,0,0|1,1,0]=4 250 B6R0.7 CC(=O)C(Cl)(Cl)Cl 4319AL [0,2,0,0,0,0|2,0,0]=4 251 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [0,2,0,0,0,0|0,0,0]=2 252 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [0,2,0,0,0,0|0,0,0]=2 253 B6R0.7 CC(C)(Cl)[N+](=O)[O-] 7043AF [0,2,0,0,0,0|1,0,0]=3 254 B6R0.7 CC(C)(F)C(=O)O 7217AE [0,2,0,0,0,0|0,0,0]=2 255 B6R0.7 CC(C)C(C)(C)N 9317AL [0,2,0,0,0,0|1,0,1]=4 256 B6R0.7 CC(C)S(=O)(=O)[O-] 7068AF [0,2,0,0,0,0|1,0,0]=3 257 B6R0.7 CC(C)S(N)(=O)=O 2634AC [0,2,0,0,0,0|1,0,0]=3 258 B6R0.7 CC(N)C(C)(C)C 2177AE [0,2,0,0,0,0|1,0,1]=4 259 B6R0.7 NC(=O)C(F)(F)Br F492 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.7 O=C([O-])C(F)(F)Br 0441AF [0,2,0,0,0,0|2,0,0]=4 261 B6R1.2 CC1CCCN1 2138AL [0,1,0,1,0,0|1,0,1]=4 262 B6R1.2 C[C@@H]1CCNC1 1585AB [0,1,0,1,0,0|1,0,1]=4 263 B6R1.2 C[C@H]1CCNC1 W4034 [0,1,0,1,0,0|1,0,1]=4 264 B6R1.3 CNCC1CC1 X2042 [0,1,0,1,0,0|1,0,1]=4 265 B6R1.3 NCCC1CC1 4787AC [0,1,0,1,0,0|1,0,1]=4 266 B6R1.3 NCCC1CC1 9526AB [0,1,0,1,0,0|1,0,1]=4 267 B6R1.3 O=CNC1CC1 V6779 [0,1,0,1,0,0|0,0,0]=2 268 B6R1.3 S=C=NC1CC1 5743AE [0,1,0,1,0,0|0,1,1]=4 269 B6R1.5 CC1CC(=O)O1 7160AL [0,1,0,1,0,0|0,0,0]=2 270 B6R1.5 O=C1CC(Br)C1 8034AD [0,1,0,1,0,0|1,0,0]=3 271 B6R1.10 CC1(C)CNC1 5732AJ [0,1,0,1,0,0|1,0,1]=4 272 B6R1.10 CC1(C)COC1 1326AQ [0,1,0,1,0,0|0,0,2]=4 273 B6R1.10 CC1(N)CCC1 9055AA [0,1,0,1,0,0|1,0,1]=4 274 B6R1.10 CC1(N)CCC1 X5278 [0,1,0,1,0,0|1,0,1]=4 275 B6R1.10 CC1(N)CSC1 3915AF [0,1,0,1,0,0|0,1,1]=4 276 B6R1.10 CC1(O)CNC1 2353AJ [0,1,0,1,0,0|1,0,1]=4 277 B6R1.10 CC1(O)CNC1 3115AD [0,1,0,1,0,0|1,0,1]=4 278 B6R1.10 CC1(O)COC1 8260AA [0,1,0,1,0,0|0,0,2]=4 279 B6R1.11 CC(N)C1CC1 3131AE [0,1,0,1,0,0|1,0,1]=4 280 B6R1.11 NC(=S)C1CC1 6843AD [0,1,0,1,0,0|0,1,0]=3 281 B6R1.11 O=S([O-])C1CC1 V8957 [0,1,0,1,0,0|1,0,0]=3 282 B6R1.6 BrCC1COC1 2022AJ [0,1,0,1,0,0|0,0,2]=4 283 B6R1.6 CNC1CCC1 4414AJ [0,1,0,1,0,0|1,0,1]=4 284 B6R1.6 ICC1CCO1 1038AD [0,1,0,1,0,0|1,0,1]=4 285 B6R1.6 N#CC1CNC1 W5620 [0,1,0,1,0,0|1,0,1]=4 286 B6R1.6 NCC1CCC1 W6312 [0,1,0,1,0,0|1,0,1]=4 287 B6R1.6 NCC1CCC1 W6876 [0,1,0,1,0,0|1,0,1]=4 288 B6R1.6 NCC1CNC1 W4567 [0,1,0,1,0,0|1,0,1]=4 289 B6R1.6 NCC1COC1 4443AJ [0,1,0,1,0,0|0,0,2]=4 290 B6R1.6 NNC1CCC1 2537AA [0,1,0,1,0,0|2,0,0]=4 291 B6R1.6 NNC1CCC1 W3433 [0,1,0,1,0,0|2,0,0]=4 292 B6R1.6 OCC1CCO1 Z4942 [0,1,0,1,0,0|0,0,2]=4 293 B6R1.6 OCC1CNC1 W9563 [0,1,0,1,0,0|0,0,2]=4 294 B6R1.6 OCC1CNC1 Y5829 [0,1,0,1,0,0|0,0,2]=4 295 B6R1.7 CC1(CO)CC1 8973AD [0,1,0,1,0,0|0,0,2]=4 296 B6R1.7 NC1(CO)CC1 X9119 [0,1,0,1,0,0|0,0,2]=4