0 B3R0.2 BrC(Br)Br AMY21869 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 C=C(C)Br AMY955 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 C=C(C)[Mg+] AMY1042 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 C=C(F)Cl AMY6847 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CC(=O)Br AMY21856 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)O AMY21906 [0,0,0,0,0,0|1,0,0]=1 6 B3R0.2 CC(=O)O AMY41276 [0,0,0,0,0,0|1,0,0]=1 7 B3R0.2 CC(=O)[O-] AMY11747 [0,0,0,0,0,0|1,0,1]=2 8 B3R0.2 CC(=O)[O-] AMY1789 [0,0,0,0,0,0|1,0,1]=2 9 B3R0.2 CC(=O)[O-] AMY22485 [0,0,0,0,0,0|1,0,1]=2 10 B3R0.2 CC(=O)[O-] AMY22494 [0,0,0,0,0,0|1,0,1]=2 11 B3R0.2 CC(=O)[O-] AMY23396 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.2 CC(=O)[O-] AMY23411 [0,0,0,0,0,0|1,0,1]=2 13 B3R0.2 CC(=O)[O-] AMY37172 [0,0,0,0,0,0|1,0,1]=2 14 B3R0.2 CC(=O)[O-] AMY9236 [0,0,0,0,0,0|1,0,1]=2 15 B3R0.2 CC(C)Br AMY37129 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.2 CC(C)O AMY11029 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.2 CC(C)[Mg+] AMY40195 [0,0,0,0,0,0|3,0,1]=4 18 B3R0.2 CC(C)[O-] AMY38606 [0,0,0,0,0,0|2,0,2]=4 19 B3R0.2 CC(C)[O-] AMY40472 [0,0,0,0,0,0|2,0,2]=4 20 B3R0.2 CP(C)C AMY19776 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 CS(C)=O AMY14894 [0,0,0,0,0,0|3,0,0]=3 22 B3R0.2 C[PH](C)=O AM90266 [0,0,0,0,0,0|3,0,0]=3 23 B3R0.2 C[S+](C)C AMY12539 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 C[S+](C)C AMY9344 [0,0,0,0,0,0|4,0,0]=4 25 B3R0.2 C[SiH](C)C AMY21899 [0,0,0,0,0,0|3,1,0]=4 26 B3R0.2 FB(F)F AMY14856 [0,0,0,0,0,0|4,0,0]=4 27 B3R0.2 FB(F)F AMY14872 [0,0,0,0,0,0|4,0,0]=4 28 B3R0.2 FB(F)F AMY14901 [0,0,0,0,0,0|4,0,0]=4 29 B3R0.2 FC(Br)Br AMY6818 [0,0,0,0,0,0|3,0,1]=4 30 B3R0.2 N=C(N)N AMY21875 [0,0,0,0,0,0|3,0,0]=3 31 B3R0.2 NC(=S)S AMY40763 [0,0,0,0,0,0|1,2,0]=3 32 B3R0.2 NC(N)=O AMY37159 [0,0,0,0,0,0|2,0,0]=2 33 B3R0.2 NC(N)=S AMY40190 [0,0,0,0,0,0|2,1,0]=3 34 B3R0.2 N[13C](N)=O AMY37002 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.2 O=C([O-])O AMY40219 [0,0,0,0,0,0|0,0,1]=1 36 B3R0.2 O=C([O-])[O-] AMY31070 [0,0,0,0,0,0|0,0,2]=2 37 B3R0.2 O=[N+]([O-])[O-] AMY22245 [0,0,0,0,0,0|1,0,2]=3 38 B3R0.2 O=[N+]([O-])[O-] AMY22270 [0,0,0,0,0,0|1,0,2]=3 39 B3R0.2 O=[N+]([O-])[O-] AMY22502 [0,0,0,0,0,0|1,0,2]=3 40 B3R0.2 O=[Si]([O-])[O-] AMY37025 [0,0,0,0,0,0|0,1,2]=3 41 B3R0.2 OB(O)O AMY1007 [0,0,0,0,0,0|1,0,1]=2 42 B2R0.1 BrCBr AMY11088 [1,0,0,0,0,0|2,0,1]=4 43 B2R0.1 C#C[Mg+] AMY19960 [1,0,0,0,0,0|2,0,1]=4 44 B2R0.1 C#C[Mg+] AMY19961 [1,0,0,0,0,0|2,0,1]=4 45 B2R0.1 C=C[CH2-] AMY41856 [1,0,0,0,0,0|2,0,0]=3 46 B2R0.1 C=C[Mg+] AMY14834 [1,0,0,0,0,0|2,0,0]=3 47 B2R0.1 C=C[Mg+] AMY19835 [1,0,0,0,0,0|2,0,0]=3 48 B2R0.1 CCC AMY22280 [1,0,0,0,0,0|2,0,1]=4 49 B2R0.1 CCI AMY39500 [1,0,0,0,0,0|2,0,1]=4 50 B2R0.1 CC[O-] AMY14850 [1,0,0,0,0,0|1,0,2]=4 51 B2R0.1 CNC AM90364 [1,0,0,0,0,0|3,0,0]=4 52 B2R0.1 CNC AMY14900 [1,0,0,0,0,0|3,0,0]=4 53 B2R0.1 CNO AMY23438 [1,0,0,0,0,0|2,0,0]=3 54 B2R0.1 CON AM90382 [1,0,0,0,0,0|3,0,0]=4 55 B2R0.1 CSC AMY11755 [1,0,0,0,0,0|3,0,0]=4 56 B2R0.1 CSC AMY14803 [1,0,0,0,0,0|3,0,0]=4 57 B2R0.1 ClCBr AMY11119 [1,0,0,0,0,0|2,0,1]=4 58 B2R0.1 ClCI AMY2690 [1,0,0,0,0,0|2,0,1]=4 59 B2R0.1 Cl[Pd]Cl AMY39310 [1,0,0,0,0,0|3,0,0]=4 60 B2R0.1 FCBr AMY6811 [1,0,0,0,0,0|2,0,1]=4 61 B2R0.1 FCF AMY37122 [1,0,0,0,0,0|2,0,1]=4 62 B2R0.1 ICI AMY25773 [1,0,0,0,0,0|2,0,1]=4 63 B2R0.1 N#CN AMY6233 [1,0,0,0,0,0|2,0,1]=4 64 B2R0.1 N=CN AMY2665 [1,0,0,0,0,0|2,0,0]=3 65 B2R0.1 NC=O AMY3583 [1,0,0,0,0,0|1,0,0]=2 66 B2R0.1 NC=S AMY33487 [1,0,0,0,0,0|1,1,0]=3 67 B2R0.1 O=CO AMY11055 [1,0,0,0,0,0|0,0,0]=1 68 B2R0.1 O=P[O-] AMY21929 [1,0,0,0,0,0|1,0,1]=3 69 B2R0.1 O=[AlH3][O-] AMY534 [1,0,0,0,0,0|1,0,1]=3 70 B2R0.1 O=[Se]=O AMY10040 [1,0,0,0,0,0|1,0,1]=3 71 B2R0.1 O=[Si]=O AMY37125 [1,0,0,0,0,0|0,1,1]=3 72 B2R0.1 [BH3-]C#N AMY31069 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 C#CC(=O)O AMY7000 [0,1,0,0,0,0|1,0,0]=2 74 B4R0.1 C#CC(N)=O AM20100705 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.1 C#C[C@@H](C)O AMY24232 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.1 C#C[C@H](C)O AMY34392 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.1 C=C(Br)C=O AMY19362 [0,1,0,0,0,0|2,0,0]=3 78 B4R0.1 C=C(C)C=O AMY28760 [0,1,0,0,0,0|2,0,0]=3 79 B4R0.1 C=C(C)CBr AM85592 [0,1,0,0,0,0|3,0,0]=4 80 B4R0.1 C=C(C)CN AMY13356 [0,1,0,0,0,0|3,0,0]=4 81 B4R0.1 C=C(Cl)C#N AMY25815 [0,1,0,0,0,0|3,0,0]=4 82 B4R0.1 C=C(Cl)CCl AMY4111 [0,1,0,0,0,0|3,0,0]=4 83 B4R0.1 C=C=C(C)C AMY42296 [0,1,0,0,0,0|3,0,0]=4 84 B4R0.1 C=CC(=C)C AMY37001 [0,1,0,0,0,0|3,0,0]=4 85 B4R0.1 C=CC(=O)Cl AMY18873 [0,1,0,0,0,0|2,0,0]=3 86 B4R0.1 C=CC(=O)[O-] AMY3817 [0,1,0,0,0,0|1,0,1]=3 87 B4R0.1 C=C[C@H](C)O AMY1257 [0,1,0,0,0,0|2,0,1]=4 88 B4R0.1 C=C[N+](=O)[O-] AMY36706 [0,1,0,0,0,0|2,0,1]=4 89 B4R0.1 CC(=N)NO AMY18111 [0,1,0,0,0,0|2,0,0]=3 90 B4R0.1 CC(=O)C#N AMY39183 [0,1,0,0,0,0|2,0,0]=3 91 B4R0.1 CC(=O)CBr AM85840 [0,1,0,0,0,0|2,0,0]=3 92 B4R0.1 CC(=O)CN AMY15017 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.1 CC(=O)CN AMY25062 [0,1,0,0,0,0|2,0,0]=3 94 B4R0.1 CC(=O)NN AM20080014 [0,1,0,0,0,0|2,0,0]=3 95 B4R0.1 CC(=O)NO AM20100343 [0,1,0,0,0,0|1,0,0]=2 96 B4R0.1 CC(C)=CBr AM85707 [0,1,0,0,0,0|3,0,0]=4 97 B4R0.1 CC(C)=NN AM9761 [0,1,0,0,0,0|3,0,0]=4 98 B4R0.1 CC(C)=NO AM90369 [0,1,0,0,0,0|2,0,0]=3 99 B4R0.1 CC(C)ON AM90376 [0,1,0,0,0,0|2,0,1]=4 100 B4R0.1 CCB(O)O AM80871 [0,1,0,0,0,0|2,0,0]=3 101 B4R0.1 CCC(=N)N AM803843 [0,1,0,0,0,0|3,0,0]=4 102 B4R0.1 CCC(=O)Cl AMY4112 [0,1,0,0,0,0|2,0,0]=3 103 B4R0.1 CCC(=O)O AMY4114 [0,1,0,0,0,0|1,0,0]=2 104 B4R0.1 CCC(=O)[O-] AMY22300 [0,1,0,0,0,0|1,0,1]=3 105 B4R0.1 CCC(=O)[O-] AMY37013 [0,1,0,0,0,0|1,0,1]=3 106 B4R0.1 CCC(N)=S AMY39288 [0,1,0,0,0,0|2,1,0]=4 107 B4R0.1 CC[C@H](C)O AMY11001 [0,1,0,0,0,0|2,0,1]=4 108 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,1,0,0,0,0|2,0,1]=4 109 B4R0.1 CNC(=N)N AM20090228 [0,1,0,0,0,0|3,0,0]=4 110 B4R0.1 CNC(C)=O AMY4115 [0,1,0,0,0,0|2,0,0]=3 111 B4R0.1 CNC(N)=O AMY40217 [0,1,0,0,0,0|2,0,0]=3 112 B4R0.1 COC(=N)N AM85805 [0,1,0,0,0,0|2,0,0]=3 113 B4R0.1 COC(=N)N AMY8981 [0,1,0,0,0,0|2,0,0]=3 114 B4R0.1 COC(Cl)Cl AMY31937 [0,1,0,0,0,0|2,0,1]=4 115 B4R0.1 COC(N)=O AMY4044 [0,1,0,0,0,0|1,0,0]=2 116 B4R0.1 CSC(=N)N AMY22236 [0,1,0,0,0,0|2,1,0]=4 117 B4R0.1 CSC(=N)N AMY304 [0,1,0,0,0,0|2,1,0]=4 118 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,1,0,0,0,0|2,0,1]=4 119 B4R0.1 C[C@H](Cl)CO AMY21357 [0,1,0,0,0,0|2,0,1]=4 120 B4R0.1 C[C@H](N)CO AM20090557 [0,1,0,0,0,0|2,0,1]=4 121 B4R0.1 C[C@H](N)CO AM20100507 [0,1,0,0,0,0|2,0,1]=4 122 B4R0.1 C[C@H](O)CN AM20090353 [0,1,0,0,0,0|2,0,1]=4 123 B4R0.1 C[C@H](O)CN AM20100779 [0,1,0,0,0,0|2,0,1]=4 124 B4R0.1 C[C@H](O)CN AM81450 [0,1,0,0,0,0|2,0,1]=4 125 B4R0.1 N=C(N)NN AMY40484 [0,1,0,0,0,0|3,0,0]=4 126 B4R0.1 N=C(N)NN AMY873 [0,1,0,0,0,0|3,0,0]=4 127 B4R0.1 N=C(N)NO AMY31983 [0,1,0,0,0,0|2,0,0]=3 128 B4R0.1 NC(=O)CBr AM85872 [0,1,0,0,0,0|2,0,0]=3 129 B4R0.1 NC(=O)CCl AMY4113 [0,1,0,0,0,0|2,0,0]=3 130 B4R0.1 NC(=O)NO AMY40858 [0,1,0,0,0,0|1,0,0]=2 131 B4R0.1 NCC(=O)O AM81781 [0,1,0,0,0,0|1,0,0]=2 132 B4R0.1 NCC(=O)[O-] AMY37022 [0,1,0,0,0,0|1,0,1]=3 133 B4R0.1 NCC(N)=O AM20080473 [0,1,0,0,0,0|2,0,0]=3 134 B4R0.1 NCC(N)=O AMY20517 [0,1,0,0,0,0|2,0,0]=3 135 B4R0.1 NCC(N)=O AMY22705 [0,1,0,0,0,0|2,0,0]=3 136 B4R0.1 NNC(N)=S AM20100785 [0,1,0,0,0,0|2,1,0]=4 137 B4R0.1 O=C(Br)CBr AMY21867 [0,1,0,0,0,0|2,0,0]=3 138 B4R0.1 O=C(Cl)CBr AMY13645 [0,1,0,0,0,0|2,0,0]=3 139 B4R0.1 O=C(Cl)CCl AMY40193 [0,1,0,0,0,0|2,0,0]=3 140 B4R0.1 O=C([O-])CS AMY25320 [0,1,0,0,0,0|0,1,1]=3 141 B4R0.1 O=CC(=O)O AMY40947 [0,1,0,0,0,0|0,0,1]=2 142 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,1,0,0,0,0|2,0,1]=4 143 B4R0.1 OCC(F)F AMY3957 [0,1,0,0,0,0|2,0,1]=4 144 B4R0.1 ON=C(Br)Br AMY16047 [0,1,0,0,0,0|2,0,0]=3 145 B4R0.3 CC(C)(C)O AMY11058 [0,1,0,0,0,0|2,0,1]=4 146 B4R0.3 CP(=O)(Cl)Cl AMY21900 [0,1,0,0,0,0|3,0,0]=4 147 B4R0.3 CP(=O)(O)O AM20120404 [0,1,0,0,0,0|1,0,0]=2 148 B4R0.3 CS(=O)(=O)O AMY32450 [0,1,0,0,0,0|1,0,1]=3 149 B4R0.3 CS(=O)(=O)[O-] AMY11772 [0,1,0,0,0,0|1,0,2]=4 150 B4R0.3 CS(C)(=N)=O AMY3326 [0,1,0,0,0,0|3,0,0]=4 151 B4R0.3 CS(C)(=O)=O AMY25756 [0,1,0,0,0,0|2,0,1]=4 152 B4R0.3 C[S+](C)(C)=O AMY22243 [0,1,0,0,0,0|3,0,0]=4 153 B4R0.3 C[S+](C)(C)=O AMY24038 [0,1,0,0,0,0|3,0,0]=4 154 B4R0.3 NS(=O)(=O)Cl AMY9077 [0,1,0,0,0,0|2,0,1]=4 155 B4R0.3 O=P(Br)(Br)Br AMY3510 [0,1,0,0,0,0|3,0,0]=4 156 B4R0.3 O=P(O)(O)O AMY21801 [0,1,0,0,0,0|1,0,0]=2 157 B4R0.3 O=P(O)(O)O AMY21809 [0,1,0,0,0,0|1,0,0]=2 158 B4R0.3 O=P([O-])([O-])F AMY37031 [0,1,0,0,0,0|1,0,2]=4 159 B4R0.3 O=S(=O)(Cl)Cl AMY27828 [0,1,0,0,0,0|2,0,1]=4 160 B4R0.3 O=S(=O)(O)O AMY39406 [0,1,0,0,0,0|1,0,0]=2 161 B4R0.3 O=S(=O)(O)O AMY8941 [0,1,0,0,0,0|1,0,0]=2 162 B4R0.3 O=S(=O)([O-])[O-] AMY13697 [0,1,0,0,0,0|1,0,2]=4 163 B4R0.3 O=[Cr](=O)(O)O AMY22327 [0,1,0,0,0,0|1,0,0]=2 164 B4R1.2 C[C@H]1CO1 AM81470 [0,0,0,1,0,0|2,0,1]=4 165 B4R1.2 C[C@H]1CO1 AM81471 [0,0,0,1,0,0|2,0,1]=4 166 B4R1.2 OC1CC1 AMY35209 [0,0,0,1,0,0|2,0,1]=4 167 B1R0.1 C=O AMY6741 [2,0,0,0,0,0|0,0,0]=2 168 B1R0.1 CN AMY40155 [2,0,0,0,0,0|1,0,1]=4 169 B1R0.1 C[Mg+] AMY39537 [2,0,0,0,0,0|1,0,1]=4 170 B1R0.1 C[Mg+] AMY862 [2,0,0,0,0,0|1,0,1]=4 171 B1R0.1 C[O-] AMY14791 [2,0,0,0,0,0|0,0,2]=4 172 B1R0.1 ClI AMY39425 [2,0,0,0,0,0|2,0,0]=4 173 B1R0.1 II AMY39508 [2,0,0,0,0,0|2,0,0]=4 174 B1R0.1 NCl AMY37006 [2,0,0,0,0,0|2,0,0]=4 175 B1R0.1 NN AMY8940 [2,0,0,0,0,0|2,0,0]=4 176 B1R0.1 NO AMY3592 [2,0,0,0,0,0|1,0,0]=3 177 B1R0.1 [C-]#[O+] AMY22309 [2,0,0,0,0,0|0,0,2]=4 178 B3R0.1 C=CCN AMY22118 [1,1,0,0,0,0|2,0,0]=4 179 B3R0.1 CCCO AMY11110 [1,1,0,0,0,0|1,0,1]=4 180 B3R0.1 CCON AM90373 [1,1,0,0,0,0|1,0,1]=4 181 B3R0.1 CNOC AM20100609 [1,1,0,0,0,0|2,0,0]=4 182 B3R0.1 C\C=C\Br AMY19968 [1,1,0,0,0,0|2,0,0]=4 183 B3R0.1 NNC=O AM9981 [1,1,0,0,0,0|1,0,0]=3 184 B3R0.1 OCCBr AMY39504 [1,1,0,0,0,0|1,0,1]=4 185 B3R0.1 OCCF AMY25659 [1,1,0,0,0,0|1,0,1]=4 186 B3R0.1 OCCO AMY22336 [1,1,0,0,0,0|0,0,1]=3 187 B5R0.1 C#CCC(=O)O AMY19285 [0,2,0,0,0,0|1,0,0]=3 188 B5R0.1 C=CCC(C)=O AMY31929 [0,2,0,0,0,0|2,0,0]=4 189 B5R0.1 CC#CC(=O)Cl AMY41204 [0,2,0,0,0,0|2,0,0]=4 190 B5R0.1 CC#CC(=O)O AM90222 [0,2,0,0,0,0|1,0,0]=3 191 B5R0.1 CC(=O)CC#N AM86800 [0,2,0,0,0,0|2,0,0]=4 192 B5R0.1 CC(=O)CC#N AMY7035 [0,2,0,0,0,0|2,0,0]=4 193 B5R0.1 CC(=O)CCO AMY31061 [0,2,0,0,0,0|1,0,0]=3 194 B5R0.1 CC(=O)OCCl AMY28690 [0,2,0,0,0,0|1,0,0]=3 195 B5R0.1 CC(=O)\C=N\O AM806560 [0,2,0,0,0,0|1,0,0]=3 196 B5R0.1 CC(C)=CC=O AMY42093 [0,2,0,0,0,0|2,0,0]=4 197 B5R0.1 CCCB(O)O AMY987 [0,2,0,0,0,0|2,0,0]=4 198 B5R0.1 CCCC(C)=O AMY25524 [0,2,0,0,0,0|2,0,0]=4 199 B5R0.1 CCOC(=S)[S-] AM20080300 [0,2,0,0,0,0|0,2,0]=4 200 B5R0.1 CCOC(C)=N AM90190 [0,2,0,0,0,0|2,0,0]=4 201 B5R0.1 CCOC(N)=O AM20100253 [0,2,0,0,0,0|1,0,0]=3 202 B5R0.1 CCO[PH](=O)[O-] AMY22458 [0,2,0,0,0,0|1,0,1]=4 203 B5R0.1 CNCC(=O)O AM20080021 [0,2,0,0,0,0|1,0,0]=3 204 B5R0.1 CNCC(C)=O AM806508 [0,2,0,0,0,0|2,0,0]=4 205 B5R0.1 CNCC(N)=O AM82642 [0,2,0,0,0,0|2,0,0]=4 206 B5R0.1 COCC(=N)N AM20120573 [0,2,0,0,0,0|2,0,0]=4 207 B5R0.1 COCC(=O)Cl AMY40728 [0,2,0,0,0,0|1,0,0]=3 208 B5R0.1 COCC(=O)O AMY4059 [0,2,0,0,0,0|0,0,0]=2 209 B5R0.1 COC[C@H](C)O AM20100219 [0,2,0,0,0,0|1,0,1]=4 210 B5R0.1 CSCC(N)=O AMY10906 [0,2,0,0,0,0|1,1,0]=4 211 B5R0.1 C[C@@H](O)CCO AMY25740 [0,2,0,0,0,0|1,0,1]=4 212 B5R0.1 C\C(Br)=C/CO AMY11209 [0,2,0,0,0,0|2,0,0]=4 213 B5R0.1 C\C=C\C(=O)O AMY11255 [0,2,0,0,0,0|1,0,0]=3 214 B5R0.1 C\C=C\C(C)=O AMY31928 [0,2,0,0,0,0|2,0,0]=4 215 B5R0.1 N#CCC(N)=O AM20080019 [0,2,0,0,0,0|2,0,0]=4 216 B5R0.1 N#CNC(N)=O AMY397 [0,2,0,0,0,0|2,0,0]=4 217 B5R0.1 NCCC(=O)O AM20080020 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.1 NCCC(=O)O AMY22128 [0,2,0,0,0,0|1,0,0]=3 219 B5R0.1 NCCC(N)=O AM20100576 [0,2,0,0,0,0|2,0,0]=4 220 B5R0.1 NCCC(N)=O AMY6958 [0,2,0,0,0,0|2,0,0]=4 221 B5R0.1 NNCC(=O)O AMY202100023 [0,2,0,0,0,0|1,0,0]=3 222 B5R0.1 NOCC(=O)O AMY19484 [0,2,0,0,0,0|0,0,0]=2 223 B5R0.1 O=C(Cl)CCBr AM90184 [0,2,0,0,0,0|2,0,0]=4 224 B5R0.1 O=C(O)CCBr AM20100434 [0,2,0,0,0,0|1,0,0]=3 225 B5R0.1 O=C(O)CCF AM803932 [0,2,0,0,0,0|1,0,0]=3 226 B5R0.1 O=C(O)CCO AM85796 [0,2,0,0,0,0|0,0,0]=2 227 B5R0.1 O=C(O)CCS AMY27767 [0,2,0,0,0,0|0,1,0]=3 228 B5R0.1 O=C(O)\C=C/I AMY22685 [0,2,0,0,0,0|1,0,0]=3 229 B5R0.1 O=C(O)\C=C\I AM806037 [0,2,0,0,0,0|1,0,0]=3 230 B5R0.3 C#CC(=O)OC AMY7053 [0,2,0,0,0,0|1,0,0]=3 231 B5R0.3 C=C(CO)CO AM20090550 [0,2,0,0,0,0|1,0,0]=3 232 B5R0.3 C=CC(=O)CBr AMY31126 [0,2,0,0,0,0|2,0,0]=4 233 B5R0.3 CCC(=O)CC AMY11060 [0,2,0,0,0,0|2,0,0]=4 234 B5R0.3 CCC(=O)OC AMY21940 [0,2,0,0,0,0|1,0,0]=3 235 B5R0.3 CC[C@@H](O)CO AMY40578 [0,2,0,0,0,0|1,0,1]=4 236 B5R0.3 CC[C@H](O)CO AMY40584 [0,2,0,0,0,0|1,0,1]=4 237 B5R0.3 CC\C(C)=N\O AM90385 [0,2,0,0,0,0|2,0,0]=4 238 B5R0.3 CNC(=O)NN AMY42564 [0,2,0,0,0,0|2,0,0]=4 239 B5R0.3 COC(=O)C=O AMY1633 [0,2,0,0,0,0|0,0,1]=3 240 B5R0.3 COC(=O)CF AM20100155 [0,2,0,0,0,0|1,0,0]=3 241 B5R0.3 COC(=O)CN AM81785 [0,2,0,0,0,0|1,0,0]=3 242 B5R0.3 COC(=O)OC AMY37165 [0,2,0,0,0,0|0,0,0]=2 243 B5R0.3 COS(=O)OC AMY18046 [0,2,0,0,0,0|1,0,0]=3 244 B5R0.3 NC(CO)CO AM20100310 [0,2,0,0,0,0|1,0,1]=4 245 B5R0.3 NC[C@H](O)CO AM20100501 [0,2,0,0,0,0|1,0,1]=4 246 B5R0.3 NC[C@H](O)CO AM20100602 [0,2,0,0,0,0|1,0,1]=4 247 B5R0.3 NC[C@H](O)CO AMY18546 [0,2,0,0,0,0|1,0,1]=4 248 B5R0.3 NNC(=O)CCl AMY39922 [0,2,0,0,0,0|2,0,0]=4 249 B5R0.3 NNC(=O)CO AM803763 [0,2,0,0,0,0|1,0,0]=3 250 B5R0.3 NNC(=O)NN AMY40845 [0,2,0,0,0,0|2,0,0]=4 251 B5R0.3 O=C(CBr)CBr AM85919 [0,2,0,0,0,0|2,0,0]=4 252 B5R0.3 O=C(CO)CBr AMY19754 [0,2,0,0,0,0|1,0,0]=3 253 B5R0.3 OC[C@H](O)CCl AM81448 [0,2,0,0,0,0|1,0,1]=4 254 B5R0.3 OC[C@H](O)CCl AM81449 [0,2,0,0,0,0|1,0,1]=4 255 B5R0.3 OC[C@H](O)CCl AMY21866 [0,2,0,0,0,0|1,0,1]=4 256 B5R0.4 CP(C)(=O)CO AM10876 [0,2,0,0,0,0|2,0,0]=4 257 B5R0.4 NCS(=O)(=O)O AMY8974 [0,2,0,0,0,0|1,0,1]=4 258 B5R0.4 NOS(=O)(=O)O AMY13359 [0,2,0,0,0,0|1,0,0]=3 259 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,2,0,0,0,0|2,0,0]=4 260 B5R0.5 C=C(C)C(N)=O AMY13351 [0,2,0,0,0,0|2,0,0]=4 261 B5R0.5 C=C(F)C(=O)O AM84938 [0,2,0,0,0,0|1,0,0]=3 262 B5R0.5 CC(=O)C(=O)O AMY6082 [0,2,0,0,0,0|0,0,1]=3 263 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,2,0,0,0,0|0,0,2]=4 264 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,2,0,0,0,0|0,0,2]=4 265 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,2,0,0,0,0|0,0,2]=4 266 B5R0.5 CC(=O)C(C)C AMY11021 [0,2,0,0,0,0|2,0,0]=4 267 B5R0.5 CC(=O)C(F)F AMY6800 [0,2,0,0,0,0|2,0,0]=4 268 B5R0.5 CC(=O)C(O)O AMY25827 [0,2,0,0,0,0|0,0,1]=3 269 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,2,0,0,0,0|2,0,0]=4 270 B5R0.5 CC(C)B(O)O AM1192 [0,2,0,0,0,0|2,0,0]=4 271 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,2,0,0,0,0|0,0,1]=3 272 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,2,0,0,0,0|1,0,0]=3 273 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,2,0,0,0,0|1,0,0]=3 274 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,2,0,0,0,0|1,0,0]=3 275 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,2,0,0,0,0|2,0,0]=4 276 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,2,0,0,0,0|2,0,0]=4 277 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,2,0,0,0,0|1,0,0]=3 278 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,2,0,0,0,0|1,0,0]=3 279 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,2,0,0,0,0|1,0,0]=3 280 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,2,0,0,0,0|1,0,0]=3 281 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,2,0,0,0,0|1,0,0]=3 282 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,2,0,0,0,0|1,0,0]=3 283 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,2,0,0,0,0|1,0,0]=3 284 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,2,0,0,0,0|2,0,0]=4 285 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,2,0,0,0,0|2,0,0]=4 286 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,2,0,0,0,0|2,0,0]=4 287 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,2,0,0,0,0|0,0,0]=2 288 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,2,0,0,0,0|0,0,1]=3 289 B5R0.5 NC(=O)C(N)=O AMY23583 [0,2,0,0,0,0|1,0,1]=4 290 B5R0.5 O=C(O)C(=O)O AMY514 [0,2,0,0,0,0|0,0,0]=2 291 B5R0.5 O=C(O)C(=O)O AMY6125 [0,2,0,0,0,0|0,0,0]=2 292 B5R0.5 O=C(O)C(F)F AM20100014 [0,2,0,0,0,0|1,0,0]=3 293 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,2,0,0,0,0|1,0,1]=4 294 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,2,0,0,0,0|1,0,1]=4 295 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,2,0,0,0,0|1,0,1]=4 296 B5R0.5 OB(O)B(O)O AMY1008 [0,2,0,0,0,0|1,0,1]=4 297 B5R1.2 O=C1CCC1 AM20070575 [0,1,0,1,0,0|2,0,0]=4 298 B5R1.2 O=C1CCN1 AMY18291 [0,1,0,1,0,0|2,0,0]=4 299 B5R1.2 O=C1CCO1 AM20020040 [0,1,0,1,0,0|1,0,0]=3 300 B5R1.2 O=C1CNC1 AM20090048 [0,1,0,1,0,0|2,0,0]=4 301 B5R1.2 O=C1CNC1 AM20100329 [0,1,0,1,0,0|2,0,0]=4 302 B5R1.2 O=C1COC1 AM20020042 [0,1,0,1,0,0|1,0,0]=3 303 B5R1.2 O=C1CSC1 AM20090216 [0,1,0,1,0,0|1,1,0]=4 304 B5R1.2 OC1COC1 AM20020046 [0,1,0,1,0,0|1,0,1]=4 305 B5R1.3 OC[C@H]1CO1 AM20100365 [0,1,0,1,0,0|1,0,1]=4 306 B5R1.3 OC[C@H]1CO1 AM20100474 [0,1,0,1,0,0|1,0,1]=4 307 B5R1.3 OC[C@H]1CO1 AM81447 [0,1,0,1,0,0|1,0,1]=4