0 B4R0.1 C#CC(C)N 6477AH [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C=C(Br)CO 1053AQ [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=CC(=O)[O-] 7016AF [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=CC(C)O 6444AE [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 CC(=O)O[Cu] X3614 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)O[Tl] 6845AF [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(Br)C#N X7909 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(C)=CBr X6156 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)CN 8086AL [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(Cl)C#N 2066AL [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 CC(O)CCl 7057AF [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 CCC(N)=S 9153AL [0,0,0,0,0,0|2,1,0]=3 12 B4R0.1 CNC(=N)N 5115AF [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 CO[SiH](C)C 3278AL [0,0,0,0,0,0|3,1,0]=4 14 B4R0.1 N=C(N)CCl 0665AB [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 NCC(F)F 9861AE [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 NCC(N)=O 1224AA [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 NCC(N)=O W7259 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.1 CCCN 8883AL [1,0,0,0,0,0|1,0,1]=3 19 B3R0.1 CCCS 7738AJ [1,0,0,0,0,0|0,1,1]=3 20 B3R0.1 CCNO X5655 [1,0,0,0,0,0|1,0,1]=3 21 B3R0.1 ClCCI 4811AL [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 FCCI V7660 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 N#CCI 8711AJ [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 NCCN 7518AA [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 NCCN 8659AJ [1,0,0,0,0,0|2,0,1]=4 26 B3R0.2 C=C(C)C 5301AF [1,0,0,0,0,0|1,0,0]=2 27 B3R0.2 CC(=N)N 6978AL [1,0,0,0,0,0|2,0,0]=3 28 B3R0.2 CC(=O)O 6852AF [1,0,0,0,0,0|0,0,0]=1 29 B3R0.2 CC(=O)[O-] 6843AF [1,0,0,0,0,0|0,0,1]=2 30 B3R0.2 N=C(N)N 8002AL [1,0,0,0,0,0|3,0,0]=4 31 B3R0.2 N=C(N)N 8003AL [1,0,0,0,0,0|3,0,0]=4 32 B3R0.2 NC(N)=O G570 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.2 O=C([O-])O 6528AH [1,0,0,0,0,0|1,0,0]=2 34 B3R0.2 O=C([O-])[O-] 5334AF [1,0,0,0,0,0|1,0,1]=3 35 B3R0.2 O=C([O-])[O-] 7328AJ [1,0,0,0,0,0|1,0,1]=3 36 B3R0.2 O=C([O-])[O-] 7332AJ [1,0,0,0,0,0|1,0,1]=3 37 B3R0.2 O=C([O-])[O-] 8472AF [1,0,0,0,0,0|1,0,1]=3 38 B3R0.2 O=C([O-])[O-] 8476AF [1,0,0,0,0,0|1,0,1]=3 39 B3R0.2 O=C([O-])[O-] 8478AF [1,0,0,0,0,0|1,0,1]=3 40 B3R0.2 O=C([O-])[O-] V0893 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.2 O=C([O-])[O-] X4664 [1,0,0,0,0,0|1,0,1]=3 42 B3R0.2 O=P(=O)[O-] V1138 [1,0,0,0,0,0|2,0,1]=4 43 B3R0.2 O=S([O-])[O-] 5207AF [1,0,0,0,0,0|2,0,1]=4 44 B3R0.2 O=S([O-])[O-] 8205AF [1,0,0,0,0,0|2,0,1]=4 45 B3R0.2 O=[N+]([O-])[O-] X3597 [1,0,0,0,0,0|2,0,1]=4 46 B3R0.2 O=[Si](O)O 8695AF [1,0,0,0,0,0|1,1,0]=3 47 B3R0.2 O=[Si]([O-])[O-] W0045 [1,0,0,0,0,0|1,1,1]=4 48 B3R0.2 O=[Si]([O-])[O-] Z1950 [1,0,0,0,0,0|1,1,1]=4 49 B3R0.2 OP(O)O 7182AB [1,0,0,0,0,0|2,0,1]=4 50 B3R0.2 O[In](O)O 8704AF [1,0,0,0,0,0|2,0,1]=4 51 B3R0.2 [BH3-][NH+](C)C 8584AJ [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 C#CCC(C)C 8172AJ [0,1,0,0,0,0|2,0,1]=4 53 B5R0.1 C=C(Br)CCO X2989 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.1 C=C(C)CCBr Z4377 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.1 C=C(C)CCC 5700AL [0,1,0,0,0,0|2,0,0]=3 56 B5R0.1 C=CNC(C)=O 8689AL [0,1,0,0,0,0|1,0,1]=3 57 B5R0.1 CC(C)=CCBr Z1911 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.1 CC(C)CCI X5313 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.1 CC(C)CNN Z1645 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.1 CC(N)CCO Z2685 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.1 CN(C)CC=O 4924AA [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 CNCC(=O)O 9764AB [0,1,0,0,0,0|2,0,0]=3 63 B5R0.1 CNOC(C)=O 8699AL [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 COCC(=N)N W4095 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 COCC(C)=O U020 [0,1,0,0,0,0|0,0,0]=1 66 B5R0.1 COCC(C)N 0442AC [0,1,0,0,0,0|1,0,1]=3 67 B5R0.1 COC[C@@H](C)N W7467 [0,1,0,0,0,0|1,0,1]=3 68 B5R0.1 CSCC(C)=O Y1373 [0,1,0,0,0,0|0,1,0]=2 69 B5R0.1 CSCS(C)=O E772 [0,1,0,0,0,0|1,1,0]=3 70 B5R0.1 C[C@H](N)CCO W7371 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.1 NCCC(N)=O 6432AB [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 NCCS(=O)O 0301AQ [0,1,0,0,0,0|3,0,0]=4 73 B5R0.1 O=C(O)CCI 7031AF [0,1,0,0,0,0|2,0,0]=3 74 B5R0.3 C=CC(=O)NC 3091AA [0,1,0,0,0,0|1,0,1]=3 75 B5R0.3 C=CC(C)CC 6094AL [0,1,0,0,0,0|2,0,1]=4 76 B5R0.3 C=CC(O)CO V0531 [0,1,0,0,0,0|0,0,3]=4 77 B5R0.3 C=C[C@@H](N)CO 3384AB [0,1,0,0,0,0|1,0,2]=4 78 B5R0.3 C=C[C@H](N)CO W4532 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.3 CCC(=O)NC 7273AF [0,1,0,0,0,0|1,0,0]=2 80 B5R0.3 CCC(=O)NN 6023AE [0,1,0,0,0,0|2,0,0]=3 81 B5R0.3 CCC(C)C=O 7969AJ [0,1,0,0,0,0|1,0,1]=3 82 B5R0.3 CCC(C)CC 6117AL [0,1,0,0,0,0|2,0,1]=4 83 B5R0.3 CCC(C)CI 4886AL [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 CCC(C)NC 9511AE [0,1,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(C)NN 0007AD [0,1,0,0,0,0|2,0,1]=4 86 B5R0.3 CCC(O)CN 6349AA [0,1,0,0,0,0|1,0,2]=4 87 B5R0.3 CCN(C)CC 7490AH [0,1,0,0,0,0|3,0,0]=4 88 B5R0.3 CC[C@H](O)CO 1422AC [0,1,0,0,0,0|0,0,2]=3 89 B5R0.3 CC\C(N)=N\O 9295AD [0,1,0,0,0,0|2,0,0]=3 90 B5R0.3 CON(C)C=O 3547AB [0,1,0,0,0,0|3,0,0]=4 91 B5R0.3 COS(=O)OC 6871AF [0,1,0,0,0,0|3,0,0]=4 92 B5R0.3 CS\C(O)=[SH]/C K552 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.3 C\C=C(/C)C#N 5703AL [0,1,0,0,0,0|2,0,1]=4 94 B5R0.3 NC(CO)CO V0534 [0,1,0,0,0,0|1,0,1]=3 95 B5R0.3 NCC(O)CCl Z2000 [0,1,0,0,0,0|1,0,2]=4 96 B5R0.3 NNC(=O)CO 4389AB [0,1,0,0,0,0|1,0,0]=2 97 B5R0.3 O=CC(O)CO 6635AH [0,1,0,0,0,0|1,0,1]=3 98 B5R0.3 OCC(S)CS F878 [0,1,0,0,0,0|0,1,1]=3 99 B5R0.4 C=CS(C)(=O)=O V5535 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.4 CC(C)(C)CN 8004AA [0,1,0,0,0,0|2,0,1]=4 101 B5R0.4 CC(C)(C)NO B804 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.4 CC(C)(F)CBr 5101AJ [0,1,0,0,0,0|2,0,1]=4 103 B5R0.4 CC(C)(N)CO 4971AH [0,1,0,0,0,0|1,0,1]=3 104 B5R0.4 CC(F)(F)CN V8232 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.4 CCC(C)(C)Br 5515AL [0,1,0,0,0,0|2,0,1]=4 106 B5R0.4 CCC(C)(C)Cl 5561AL [0,1,0,0,0,0|2,0,1]=4 107 B5R0.4 CCS(=O)(=O)[O-] 8987AL [0,1,0,0,0,0|3,0,0]=4 108 B5R0.4 CCS(C)(=O)=O F876 [0,1,0,0,0,0|2,0,0]=3 109 B5R0.4 C[N+](C)(C)CI 2479AE [0,1,0,0,0,0|3,0,0]=4 110 B5R0.4 C[Si](C)(C)CBr 4095AL [0,1,0,0,0,0|2,1,0]=4 111 B5R0.4 C[Si](C)(C)CO X6387 [0,1,0,0,0,0|1,1,0]=3 112 B5R0.4 C[Si](C)(Cl)CCl 8463AJ [0,1,0,0,0,0|2,1,0]=4 113 B5R0.4 OCC(F)(F)Cl 4023AE [0,1,0,0,0,0|2,0,1]=4 114 B5R0.5 CC(=O)N(C)C B355 [0,1,0,0,0,0|2,0,0]=3 115 B5R0.5 CC(=O)[C@H](C)N 2350AA [0,1,0,0,0,0|1,0,0]=2 116 B5R0.5 CC(C)C(=O)[O-] 7249AF [0,1,0,0,0,0|2,0,0]=3 117 B5R0.5 CC(C)C(C)O 6096AL [0,1,0,0,0,0|1,0,1]=3 118 B5R0.5 CC(C)S(=O)[O-] 4057AH [0,1,0,0,0,0|3,0,0]=4 119 B5R0.5 CC(Cl)C(N)=O 9013AD [0,1,0,0,0,0|2,0,0]=3 120 B5R0.5 CC(N)C(N)=O 9942AE [0,1,0,0,0,0|2,0,0]=3 121 B5R0.5 CC(N)C(N)=O V6080 [0,1,0,0,0,0|2,0,0]=3 122 B5R0.5 CC(O)C(=O)[O-] 7038AF [0,1,0,0,0,0|1,0,0]=2 123 B5R0.5 CC(O)C(=O)[O-] O583 [0,1,0,0,0,0|1,0,0]=2 124 B5R0.5 CC(S)C(C)S 9352AJ [0,1,0,0,0,0|0,2,1]=4 125 B5R0.5 C[C@@H](N)C(N)=O Z4641 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.5 NC(=O)C(=O)[O-] Z3402 [0,1,0,0,0,0|1,0,2]=4 127 B5R0.5 NC(=O)C(F)Cl 3273AE [0,1,0,0,0,0|2,0,0]=3 128 B5R0.5 O=C(O)C(Br)Br 6811AF [0,1,0,0,0,0|2,0,0]=3 129 B5R1.2 BrC1CNC1 7707AB [0,0,0,1,0,0|2,0,1]=4 130 B5R1.2 CC1CNC1 W9623 [0,0,0,1,0,0|2,0,1]=4 131 B5R1.2 ClC1CCC1 Z7366 [0,0,0,1,0,0|2,0,1]=4 132 B5R1.2 ClC1CNC1 3365AB [0,0,0,1,0,0|2,0,1]=4 133 B5R1.2 FC1CNC1 X3056 [0,0,0,1,0,0|2,0,1]=4 134 B5R1.2 NC1CNC1 0554AA [0,0,0,1,0,0|2,0,1]=4 135 B5R1.2 NC1COC1 6668AB [0,0,0,1,0,0|1,0,1]=3 136 B5R1.2 O=C1CCN1 W9581 [0,0,0,1,0,0|2,0,0]=3 137 B5R1.2 O=C1CSC1 Z4430 [0,0,0,1,0,0|0,1,0]=2 138 B5R1.2 OC1CNC1 W6360 [0,0,0,1,0,0|1,0,2]=4 139 B5R1.3 CC[C@H]1CO1 7482AJ [0,0,0,1,0,0|1,0,2]=4 140 B5R1.3 NCC1CC1 Y1835 [0,0,0,1,0,0|2,0,1]=4 141 B5R1.5 CC1(N)CC1 W9186 [0,0,0,1,0,0|2,0,1]=4 142 B2R0.1 CC#N 7219AA [2,0,0,0,0,0|1,0,1]=4 143 B2R0.1 CCN 7900AL [2,0,0,0,0,0|1,0,0]=3 144 B2R0.1 CNC 7704AL [2,0,0,0,0,0|1,0,0]=3 145 B2R0.1 N=CN 7944AL [2,0,0,0,0,0|2,0,0]=4 146 B2R0.1 O=B[O-] 5073AF [2,0,0,0,0,0|1,0,1]=4 147 B2R0.1 O=C[O-] 8297AF [2,0,0,0,0,0|0,0,1]=3 148 B2R0.1 O=C[O-] 8804AF [2,0,0,0,0,0|0,0,1]=3 149 B2R0.1 O=N[O-] 8792AF [2,0,0,0,0,0|1,0,1]=4 150 B2R0.1 O=[AlH3][O-] 5048AF [2,0,0,0,0,0|1,0,1]=4 151 B2R0.1 O=[Hf]=O 8716AF [2,0,0,0,0,0|1,0,1]=4 152 B2R0.1 O=[Ru]=O 9044AJ [2,0,0,0,0,0|1,0,1]=4 153 B4R0.2 C=CCCC 7306AF [1,1,0,0,0,0|1,0,1]=4 154 B4R0.2 C=CCCN 2362AH [1,1,0,0,0,0|1,0,1]=4 155 B4R0.2 C=CSCC 7899AL [1,1,0,0,0,0|1,0,1]=4 156 B4R0.2 CCCC#N A365 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.2 CCCCC 8942AJ [1,1,0,0,0,0|1,0,1]=4 158 B4R0.2 CCCCN 7306AL [1,1,0,0,0,0|1,0,1]=4 159 B4R0.2 CCCCS 4787AL [1,1,0,0,0,0|0,1,1]=4 160 B4R0.2 CCNCC 7648AL [1,1,0,0,0,0|1,0,1]=4 161 B4R0.2 CCNCC 7649AL [1,1,0,0,0,0|1,0,1]=4 162 B4R0.2 CCNCC 7650AL [1,1,0,0,0,0|1,0,1]=4 163 B4R0.2 CCOC=N M412 [1,1,0,0,0,0|2,0,0]=4 164 B4R0.2 CNCCN X9276 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.2 CO[Ca]OC 9618AJ [1,1,0,0,0,0|2,0,0]=4 166 B4R0.2 CSCCO U461 [1,1,0,0,0,0|0,0,1]=3 167 B4R0.2 C\C=C\CC 7309AF [1,1,0,0,0,0|1,0,0]=3 168 B4R0.2 C\C=C\OC 1641AL [1,1,0,0,0,0|0,0,1]=3 169 B4R0.2 ClCSCCl 7220AL [1,1,0,0,0,0|2,0,0]=4 170 B4R0.2 NCCCN 7173AL [1,1,0,0,0,0|1,0,1]=4 171 B4R0.2 NCCCO 5983AL [1,1,0,0,0,0|0,0,1]=3 172 B4R0.2 NCCON W5869 [1,1,0,0,0,0|1,0,1]=4 173 B4R0.2 NOCCO 5251AJ [1,1,0,0,0,0|0,0,2]=4 174 B4R0.3 CC(C)(F)F 3040AE [1,1,0,0,0,0|1,0,1]=4 175 B4R0.3 CS(=O)(=O)[O-] 8205AL [1,1,0,0,0,0|1,0,1]=4 176 B4R0.3 CS(=O)(=O)[O-] 8285AF [1,1,0,0,0,0|1,0,1]=4 177 B4R0.3 CS(=O)(=O)[O-] V1498 [1,1,0,0,0,0|1,0,1]=4 178 B4R0.3 CS(C)(=N)=O 4730AD [1,1,0,0,0,0|1,0,0]=3 179 B4R0.3 C[As](C)(=O)O 6874AF [1,1,0,0,0,0|1,0,0]=3 180 B4R0.3 C[N+](C)(C)C 0656AP [1,1,0,0,0,0|2,0,0]=4 181 B4R0.3 C[N+](C)(C)C 7123AF [1,1,0,0,0,0|2,0,0]=4 182 B4R0.3 C[N+](C)(C)C 9123AL [1,1,0,0,0,0|2,0,0]=4 183 B4R0.3 C[N+](C)(C)C 9124AL [1,1,0,0,0,0|2,0,0]=4 184 B4R0.3 C[N+](C)(C)C 9126AL [1,1,0,0,0,0|2,0,0]=4 185 B4R0.3 C[N+](C)(C)C 9127AL [1,1,0,0,0,0|2,0,0]=4 186 B4R0.3 C[N+](C)(C)C G456 [1,1,0,0,0,0|2,0,0]=4 187 B4R0.3 C[Pt](C)(C)I 7052AA [1,1,0,0,0,0|2,0,0]=4 188 B4R0.3 C[Si](C)(C)[O-] X7202 [1,1,0,0,0,0|0,1,1]=4 189 B4R0.3 O=Cl(=O)(=O)O 8711AF [1,1,0,0,0,0|2,0,0]=4 190 B4R0.3 O=P([O-])([O-])O 5248AF [1,1,0,0,0,0|2,0,0]=4 191 B4R0.3 O=P([O-])([O-])O 8998AF [1,1,0,0,0,0|2,0,0]=4 192 B6R0.1 C#C\C(C)=C/CO 9234AB [0,2,0,0,0,0|1,0,0]=3 193 B6R0.1 C=COC(=O)CC 7389AF [0,2,0,0,0,0|1,0,1]=4 194 B6R0.1 CC(CO)CCN 2620AL [0,2,0,0,0,0|1,0,1]=4 195 B6R0.1 CCC(=O)CC#N 0486AE [0,2,0,0,0,0|1,0,0]=3 196 B6R0.1 CCC(C)N=C=O 4892AD [0,2,0,0,0,0|1,0,1]=4 197 B6R0.1 CCC(O)COC 4893AL [0,2,0,0,0,0|0,0,2]=4 198 B6R0.1 CCC\C(N)=N\O 8990AD [0,2,0,0,0,0|2,0,0]=4 199 B6R0.1 CCNC(=O)CC 8553AL [0,2,0,0,0,0|1,0,0]=3 200 B6R0.1 CCOC(=O)CI 7240AF [0,2,0,0,0,0|1,0,0]=3 201 B6R0.1 CCOC(=O)NO 6247AE [0,2,0,0,0,0|1,0,0]=3 202 B6R0.1 CCOC(=O)OC 7884AL [0,2,0,0,0,0|1,0,0]=3 203 B6R0.1 CNC(=O)CCN 4757AE [0,2,0,0,0,0|1,0,0]=3 204 B6R0.1 COC(=O)C#CBr 1628AB [0,2,0,0,0,0|1,0,1]=4 205 B6R0.1 COC(=O)OCCl 0229AP [0,2,0,0,0,0|1,0,0]=3 206 B6R0.1 COC(=O)\C=C\I 9331AB [0,2,0,0,0,0|1,0,1]=4 207 B6R0.1 C[C@@H](CO)CCN 4158AL [0,2,0,0,0,0|1,0,1]=4 208 B6R0.1 C\C=C\C(=O)CC 2730AL [0,2,0,0,0,0|1,0,0]=3 209 B6R0.2 CC(=O)NC(C)=O 7247AF [0,2,0,0,0,0|0,0,2]=4 210 B6R0.2 CC(=O)NC(C)C X8984 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.2 CC(C)NC(N)=O X3415 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.2 CC(C)OC(N)=O 7274AF [0,2,0,0,0,0|2,0,0]=4 213 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,2,0,0,0,0|1,0,1]=4 214 B6R0.2 CC(N)CC(=O)O 3162AL [0,2,0,0,0,0|1,0,1]=4 215 B6R0.2 CC(O)CC(C)O 5338AL [0,2,0,0,0,0|0,0,2]=4 216 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,2,0,0,0,0|1,0,1]=4 217 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [0,2,0,0,0,0|0,0,2]=4 218 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,2,0,0,0,0|1,0,1]=4 219 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [0,2,0,0,0,0|0,0,2]=4 220 B6R0.3 C=C(C)C(=O)NC 3763AL [0,2,0,0,0,0|1,0,1]=4 221 B6R0.3 C=CN(C)C(C)=O V0612 [0,2,0,0,0,0|1,0,1]=4 222 B6R0.3 CC(=O)C(=O)CBr W6757 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.3 CC(=O)C(C)C#N 6171AB [0,2,0,0,0,0|1,0,0]=3 224 B6R0.3 CC(C)C(=O)CBr W4222 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.3 CC(C)C(N)=NO 3115AC [0,2,0,0,0,0|2,0,0]=4 226 B6R0.3 CC(CN)C(=O)O B714 [0,2,0,0,0,0|1,0,1]=4 227 B6R0.3 CC(O)C(O)CO 4398AL [0,2,0,0,0,0|0,0,2]=4 228 B6R0.3 CCC(=O)C(C)=O 7386AF [0,2,0,0,0,0|1,0,0]=3 229 B6R0.3 CCC(Br)C(=O)Cl 5533AL [0,2,0,0,0,0|2,0,0]=4 230 B6R0.3 CCC(Cl)C(=O)O 7236AF [0,2,0,0,0,0|2,0,0]=4 231 B6R0.3 CCC(O)C(=O)O Z2570 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.3 CCC(O)C(C)C 8275AB [0,2,0,0,0,0|1,0,1]=4 233 B6R0.3 CC[C@H](N)C(N)=O V3235 [0,2,0,0,0,0|2,0,0]=4 234 B6R0.3 CN(C)C(=O)CN Z5718 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.3 CN(C)C(=O)CO 4466AD [0,2,0,0,0,0|0,0,0]=2 236 B6R0.3 CNC(=O)C(C)Cl 3091AE [0,2,0,0,0,0|1,0,0]=3 237 B6R0.3 CNC(=O)C(F)Br 5096AE [0,2,0,0,0,0|1,0,0]=3 238 B6R0.3 CNC(=O)C(F)I 1593AF [0,2,0,0,0,0|1,0,0]=3 239 B6R0.3 CNC(C)C(=O)O 0549AP [0,2,0,0,0,0|2,0,0]=4 240 B6R0.3 COC(=N)C(C)C V5712 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.3 COC(C)C(C)O V6491 [0,2,0,0,0,0|0,0,2]=4 242 B6R0.3 CON(C)C(=O)Cl 8593AL [0,2,0,0,0,0|2,0,0]=4 243 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,2,0,0,0,0|1,0,1]=4 244 B6R0.3 C[C@H](CN)C(=O)O 5992AA [0,2,0,0,0,0|1,0,1]=4 245 B6R0.3 C[C@H](CO)C(=O)O 9933AA [0,2,0,0,0,0|0,0,1]=3 246 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [0,2,0,0,0,0|0,0,2]=4 247 B6R0.3 NC(=O)C(Cl)CCl 5220AL [0,2,0,0,0,0|2,0,0]=4 248 B6R0.3 NC(CCl)C(=O)O 1396AE [0,2,0,0,0,0|2,0,0]=4 249 B6R0.3 NCC(F)C(=O)O 5631AL [0,2,0,0,0,0|2,0,0]=4 250 B6R0.3 NCC(N)C(=O)O 3293AL [0,2,0,0,0,0|2,0,0]=4 251 B6R0.3 NCC(N)C(=O)O V0517 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.3 NCC(O)C(=O)O X2972 [0,2,0,0,0,0|1,0,0]=3 253 B6R0.3 N[C@@H](CCl)C(=O)O W6670 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.3 N[C@H](CCl)C(=O)O 3161AL [0,2,0,0,0,0|2,0,0]=4 255 B6R0.3 O=C(O)C(=O)CBr 7040AD [0,2,0,0,0,0|0,0,1]=3 256 B6R0.4 C=COCC(C)C 8720AJ [0,2,0,0,0,0|1,0,1]=4 257 B6R0.4 CC(O)CCCO 1536AL [0,2,0,0,0,0|0,0,2]=4 258 B6R0.4 CCC#CC(C)=O 6057AL [0,2,0,0,0,0|1,0,0]=3 259 B6R0.4 CCCNC(N)=O P685 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.4 CCCOC(N)=O 9471AB [0,2,0,0,0,0|2,0,0]=4 261 B6R0.4 CCCSC(C)=O R568 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.4 CCNCC(=O)O X5133 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.4 CSCCC(C)=O L760 [0,2,0,0,0,0|0,1,0]=3 264 B6R0.4 N#CCCC(=O)O W3483 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.4 NC(=O)CCCCl Y1653 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.4 NCCCC(N)=O 5556AA [0,2,0,0,0,0|2,0,0]=4 267 B6R0.4 O=C([O-])CNCO 0872AC [0,2,0,0,0,0|1,0,0]=3 268 B6R0.4 O=[N+]([O-])CCCO V2307 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.4 [N-]=[N+]=NCC(=O)O 1050AQ [0,2,0,0,0,0|2,0,0]=4 270 B6R0.5 CC(C)(N)CCO 3154AE [0,2,0,0,0,0|1,0,1]=4 271 B6R0.5 COCC(C)(C)O 1642AL [0,2,0,0,0,0|0,0,2]=4 272 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,2,0,0,0,0|2,0,0]=4 273 B6R0.5 C[N+](C)(C)CCO 7392AL [0,2,0,0,0,0|2,0,0]=4 274 B6R0.5 O=S(=O)([O-])CCO V1309 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.8 CC(C)(C#N)CO 0005AB [0,2,0,0,0,0|1,0,1]=4 276 B6R0.8 CNC(C)(C)CO 5580AJ [0,2,0,0,0,0|1,0,1]=4 277 B6R0.8 NCC(F)(F)CO V7051 [0,2,0,0,0,0|1,0,1]=4 278 B6R0.9 CC=C(CC)CC 6043AL [0,2,0,0,0,0|2,0,0]=4 279 B6R0.9 COC(CO)OC 3441AL [0,2,0,0,0,0|0,0,2]=4 280 B6R0.9 OCC(CO)=NO 4558AL [0,2,0,0,0,0|0,0,1]=3 281 B6R0.9 OCC(CO)CO 6412AB [0,2,0,0,0,0|0,0,2]=4 282 B6R0.7 CC(=O)C(Cl)(Cl)Cl 4319AL [0,2,0,0,0,0|1,0,0]=3 283 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [0,2,0,0,0,0|2,0,0]=4 284 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [0,2,0,0,0,0|2,0,0]=4 285 B6R0.7 CC(C)(F)C(=O)O 7217AE [0,2,0,0,0,0|2,0,0]=4 286 B6R0.7 NC(=O)C(F)(F)Br F492 [0,2,0,0,0,0|2,0,0]=4 287 B6R0.7 O=C([O-])C(F)(F)Br 0441AF [0,2,0,0,0,0|2,0,0]=4 288 B6R1.2 BrC1CCOC1 W4135 [0,1,0,1,0,0|1,0,1]=4 289 B6R1.2 CC1=COC=N1 Z5040 [0,1,0,1,0,0|1,0,1]=4 290 B6R1.2 CC1=NCCN1 5706AL [0,1,0,1,0,0|2,0,0]=4 291 B6R1.2 CC1=NCCS1 5709AL [0,1,0,1,0,0|1,1,0]=4 292 B6R1.2 ClC1CCOC1 X2032 [0,1,0,1,0,0|1,0,1]=4 293 B6R1.2 N=C1CCCS1 V6112 [0,1,0,1,0,0|2,0,0]=4 294 B6R1.2 N[C@@H]1CCOC1 X8829 [0,1,0,1,0,0|1,0,1]=4 295 B6R1.2 O=C1CC=NN1 Z4130 [0,1,0,1,0,0|2,0,0]=4 296 B6R1.2 O=C1CCNN1 W3840 [0,1,0,1,0,0|2,0,0]=4 297 B6R1.2 O=C1CCON1 3285AA [0,1,0,1,0,0|1,0,0]=3 298 B6R1.2 O=C1CNCN1 X9977 [0,1,0,1,0,0|1,0,0]=3 299 B6R1.2 O=S1CCCC1 X4814 [0,1,0,1,0,0|2,0,0]=4 300 B6R1.2 S=C1CCCN1 7821AD [0,1,0,1,0,0|1,1,0]=4 301 B6R1.5 CC1CC(=O)O1 7160AL [0,1,0,1,0,0|1,0,0]=3 302 B6R1.5 NC1CC(O)C1 0869AA [0,1,0,1,0,0|1,0,1]=4 303 B6R1.5 NC1CC(O)C1 W6394 [0,1,0,1,0,0|1,0,1]=4 304 B6R1.5 O=C1CC(Br)C1 8034AD [0,1,0,1,0,0|1,0,0]=3 305 B6R1.10 CC1(C)COC1 1326AQ [0,1,0,1,0,0|1,0,1]=4 306 B6R1.10 CC1(O)COC1 8260AA [0,1,0,1,0,0|0,0,2]=4 307 B6R1.6 BrCC1COC1 2022AJ [0,1,0,1,0,0|1,0,1]=4 308 B6R1.6 NCC1COC1 4443AJ [0,1,0,1,0,0|1,0,1]=4 309 B6R1.6 OCC1CCO1 Z4942 [0,1,0,1,0,0|0,0,2]=4 310 B6R1.6 OCC1CNC1 W9563 [0,1,0,1,0,0|1,0,1]=4 311 B6R1.6 OCC1CNC1 Y5829 [0,1,0,1,0,0|1,0,1]=4 312 B6R1.7 CC1(CO)CC1 8973AD [0,1,0,1,0,0|1,0,1]=4 313 B6R1.7 NC1(CO)CC1 X9119 [0,1,0,1,0,0|1,0,1]=4