0 B4R0.1 C#CC(=O)O AMY7000 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#CC(N)=O AM20100705 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C#C[C@@H](C)O AMY24232 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C#C[C@H](C)Br AMY12092 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C#C[C@H](C)N AM806670 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C#C[C@H](C)O AMY34392 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C=C(Br)C=O AMY19362 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 C=C(C)C=O AMY28760 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C=C(C)CBr AM85592 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 C=C(C)CN AMY13356 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C=C(Cl)C#N AMY25815 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C=C(Cl)CCl AMY4111 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=C=C(C)C AMY42296 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 C=CC(=C)C AMY37001 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 C=CC(=O)Cl AMY18873 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 C=CC(=O)[O-] AMY3817 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 C=C[C@H](C)Cl AMY617 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 C=C[C@H](C)O AMY1257 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 C=C[N+](=O)[O-] AMY36706 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 CC(=N)NO AMY18111 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 CC(=O)C#N AMY39183 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 CC(=O)CBr AM85840 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.1 CC(=O)CN AMY15017 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 CC(=O)CN AMY25062 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(=O)NN AM20080014 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CC(=O)NO AM20100343 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 CC(C)=CBr AM85707 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 CC(C)=NN AM9761 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 CC(C)=NO AM90369 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 CC(C)CBr AMY25783 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CC(C)NN AM20090002 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CC(C)NN AMY202003297 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 CC(C)ON AM90376 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.1 CCC(=N)N AM803843 [0,0,0,0,0,0|4,0,0]=4 34 B4R0.1 CCC(=O)Cl AMY4112 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 CCC(=O)O AMY4114 [0,0,0,0,0,0|3,0,0]=3 36 B4R0.1 CCC(=O)[O-] AMY22300 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 CCC(=O)[O-] AMY37013 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.1 CCC(C)[O-] AMY22246 [0,0,0,0,0,0|2,0,2]=4 39 B4R0.1 CCC(N)=S AMY39288 [0,0,0,0,0,0|3,1,0]=4 40 B4R0.1 CCN(C)C AMY13339 [0,0,0,0,0,0|4,0,0]=4 41 B4R0.1 CC[C@H](C)O AMY11001 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 CN(C)C=S AMY40664 [0,0,0,0,0,0|3,1,0]=4 44 B4R0.1 CN(C)CCl AMY39211 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.1 CNC(=N)N AM20090228 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 CNC(C)=O AMY4115 [0,0,0,0,0,0|2,0,0]=2 47 B4R0.1 CNC(C)C AMY13353 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 CNC(N)=O AMY40217 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 COC(=N)N AM85805 [0,0,0,0,0,0|3,0,0]=3 50 B4R0.1 COC(=N)N AMY8981 [0,0,0,0,0,0|3,0,0]=3 51 B4R0.1 COC(Cl)Cl AMY31937 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.1 COC(N)=O AMY4044 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.1 CSC(=N)N AMY22236 [0,0,0,0,0,0|3,1,0]=4 54 B4R0.1 CSC(=N)N AMY304 [0,0,0,0,0,0|3,1,0]=4 55 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,0,0,0,0,0|2,0,1]=3 56 B4R0.1 C[C@@H](N)CN AMY3648 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.1 C[C@H](Br)C#N AMY39192 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.1 C[C@H](Cl)CO AMY21357 [0,0,0,0,0,0|2,0,1]=3 59 B4R0.1 C[C@H](N)C#N AM9634 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 C[C@H](N)CN AMY3672 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 C[C@H](N)CO AM20090557 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 C[C@H](N)CO AM20100507 [0,0,0,0,0,0|2,0,1]=3 63 B4R0.1 C[C@H](O)CN AM20090353 [0,0,0,0,0,0|2,0,2]=4 64 B4R0.1 C[C@H](O)CN AM20100779 [0,0,0,0,0,0|2,0,2]=4 65 B4R0.1 C[C@H](O)CN AM81450 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.1 N=C(N)NN AMY40484 [0,0,0,0,0,0|4,0,0]=4 67 B4R0.1 N=C(N)NN AMY873 [0,0,0,0,0,0|4,0,0]=4 68 B4R0.1 N=C(N)NO AMY31983 [0,0,0,0,0,0|3,0,0]=3 69 B4R0.1 NC(=O)CBr AM85872 [0,0,0,0,0,0|3,0,0]=3 70 B4R0.1 NC(=O)CCl AMY4113 [0,0,0,0,0,0|3,0,0]=3 71 B4R0.1 NC(=O)NO AMY40858 [0,0,0,0,0,0|2,0,0]=2 72 B4R0.1 NCC(=O)O AM81781 [0,0,0,0,0,0|3,0,0]=3 73 B4R0.1 NCC(=O)[O-] AMY37022 [0,0,0,0,0,0|3,0,0]=3 74 B4R0.1 NCC(N)=O AM20080473 [0,0,0,0,0,0|3,0,0]=3 75 B4R0.1 NCC(N)=O AMY20517 [0,0,0,0,0,0|3,0,0]=3 76 B4R0.1 NCC(N)=O AMY22705 [0,0,0,0,0,0|3,0,0]=3 77 B4R0.1 NNC(N)=S AM20100785 [0,0,0,0,0,0|3,1,0]=4 78 B4R0.1 O=C(Br)CBr AMY21867 [0,0,0,0,0,0|3,0,0]=3 79 B4R0.1 O=C(Cl)CBr AMY13645 [0,0,0,0,0,0|3,0,0]=3 80 B4R0.1 O=C(Cl)CCl AMY40193 [0,0,0,0,0,0|3,0,0]=3 81 B4R0.1 O=C([O-])CS AMY25320 [0,0,0,0,0,0|2,1,0]=3 82 B4R0.1 O=CC(=O)O AMY40947 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,0,0,0,0,0|4,0,0]=4 84 B4R0.1 OCC(F)F AMY3957 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.1 ON=C(Br)Br AMY16047 [0,0,0,0,0,0|3,0,0]=3 86 B4R0.1 [Li]CC(C)C AMY14929 [0,0,0,0,0,0|3,0,1]=4 87 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,0,0,0,0,0|3,0,1]=4 88 B3R0.1 C=CCN AMY22118 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.1 CC#C[Mg+] AMY1254 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.1 CCCO AMY11110 [1,0,0,0,0,0|1,0,1]=3 91 B3R0.1 CCNN AM10026 [1,0,0,0,0,0|2,0,1]=4 92 B3R0.1 CCNN AMY202003286 [1,0,0,0,0,0|2,0,1]=4 93 B3R0.1 CCON AM90373 [1,0,0,0,0,0|1,0,1]=3 94 B3R0.1 CN=C=S AMY11073 [1,0,0,0,0,0|2,1,0]=4 95 B3R0.1 CNOC AM20100609 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.1 CSSC AMY39506 [1,0,0,0,0,0|2,1,0]=4 97 B3R0.1 C[Se][Se]C AMY31938 [1,0,0,0,0,0|2,1,0]=4 98 B3R0.1 C\C=C\Br AMY19968 [1,0,0,0,0,0|2,0,0]=3 99 B3R0.1 NNC=O AM9981 [1,0,0,0,0,0|2,0,0]=3 100 B3R0.1 OCCBr AMY39504 [1,0,0,0,0,0|2,0,1]=4 101 B3R0.1 OCCF AMY25659 [1,0,0,0,0,0|2,0,1]=4 102 B3R0.1 OCCO AMY22336 [1,0,0,0,0,0|1,0,2]=4 103 B3R0.2 C=C(C)Br AMY955 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.2 C=C(C)[Mg+] AMY1042 [1,0,0,0,0,0|2,0,0]=3 105 B3R0.2 C=C(F)Cl AMY6847 [1,0,0,0,0,0|2,0,1]=4 106 B3R0.2 CC(=O)Br AMY21856 [1,0,0,0,0,0|1,0,0]=2 107 B3R0.2 CC(=O)O AMY21906 [1,0,0,0,0,0|0,0,0]=1 108 B3R0.2 CC(=O)O AMY41276 [1,0,0,0,0,0|0,0,0]=1 109 B3R0.2 CC(=O)[O-] AMY11747 [1,0,0,0,0,0|0,0,1]=2 110 B3R0.2 CC(=O)[O-] AMY1789 [1,0,0,0,0,0|0,0,1]=2 111 B3R0.2 CC(=O)[O-] AMY22485 [1,0,0,0,0,0|0,0,1]=2 112 B3R0.2 CC(=O)[O-] AMY22494 [1,0,0,0,0,0|0,0,1]=2 113 B3R0.2 CC(=O)[O-] AMY23396 [1,0,0,0,0,0|0,0,1]=2 114 B3R0.2 CC(=O)[O-] AMY23411 [1,0,0,0,0,0|0,0,1]=2 115 B3R0.2 CC(=O)[O-] AMY37172 [1,0,0,0,0,0|0,0,1]=2 116 B3R0.2 CC(=O)[O-] AMY9236 [1,0,0,0,0,0|0,0,1]=2 117 B3R0.2 CC(C)Br AMY37129 [1,0,0,0,0,0|2,0,1]=4 118 B3R0.2 CC(C)O AMY11029 [1,0,0,0,0,0|1,0,1]=3 119 B3R0.2 CC(C)[Mg+] AMY40195 [1,0,0,0,0,0|2,0,1]=4 120 B3R0.2 CC(C)[O-] AMY38606 [1,0,0,0,0,0|1,0,2]=4 121 B3R0.2 CC(C)[O-] AMY40472 [1,0,0,0,0,0|1,0,2]=4 122 B3R0.2 CP(C)C AMY19776 [1,0,0,0,0,0|3,0,0]=4 123 B3R0.2 CS(C)=O AMY14894 [1,0,0,0,0,0|2,0,0]=3 124 B3R0.2 C[PH](C)=O AM90266 [1,0,0,0,0,0|2,0,0]=3 125 B3R0.2 C[S+](C)C AMY12539 [1,0,0,0,0,0|3,0,0]=4 126 B3R0.2 C[S+](C)C AMY9344 [1,0,0,0,0,0|3,0,0]=4 127 B3R0.2 C[SiH](C)C AMY21899 [1,0,0,0,0,0|2,1,0]=4 128 B3R0.2 N=C(N)N AMY21875 [1,0,0,0,0,0|3,0,0]=4 129 B3R0.2 NC(=S)S AMY40763 [1,0,0,0,0,0|1,2,0]=4 130 B3R0.2 NC(N)=O AMY37159 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.2 NC(N)=S AMY40190 [1,0,0,0,0,0|2,1,0]=4 132 B3R0.2 N[13C](N)=O AMY37002 [1,0,0,0,0,0|2,0,0]=3 133 B3R0.2 O=C([O-])O AMY40219 [1,0,0,0,0,0|1,0,0]=2 134 B3R0.2 O=C([O-])[O-] AMY31070 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.2 O=[N+]([O-])[O-] AMY22245 [1,0,0,0,0,0|2,0,1]=4 136 B3R0.2 O=[N+]([O-])[O-] AMY22270 [1,0,0,0,0,0|2,0,1]=4 137 B3R0.2 O=[N+]([O-])[O-] AMY22502 [1,0,0,0,0,0|2,0,1]=4 138 B3R0.2 O=[Si]([O-])[O-] AMY37025 [1,0,0,0,0,0|1,1,1]=4 139 B3R0.2 OB(O)O AMY1007 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 C#CCC(=O)O AMY19285 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.1 C=C(C)CCBr AMY7022 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.1 C=CCC(C)=O AMY31929 [0,1,0,0,0,0|2,0,0]=3 143 B5R0.1 CC#CC(=O)Cl AMY41204 [0,1,0,0,0,0|3,0,0]=4 144 B5R0.1 CC#CC(=O)O AM90222 [0,1,0,0,0,0|3,0,0]=4 145 B5R0.1 CC(=O)CC#N AM86800 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.1 CC(=O)CC#N AMY7035 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.1 CC(=O)CCO AMY31061 [0,1,0,0,0,0|1,0,0]=2 148 B5R0.1 CC(=O)OCCl AMY28690 [0,1,0,0,0,0|1,0,0]=2 149 B5R0.1 CC(=O)\C=N\O AM806560 [0,1,0,0,0,0|1,0,0]=2 150 B5R0.1 CC(C)=CC=O AMY42093 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.1 CC(C)=CCBr AMY21882 [0,1,0,0,0,0|3,0,0]=4 152 B5R0.1 CC(C)CON AMY31434 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 CC(C)OCCl AMY23885 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.1 CC(C)\C=N\O AMY37290 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.1 CCCC(C)=O AMY25524 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.1 CCOC(=S)[S-] AM20080300 [0,1,0,0,0,0|2,1,0]=4 157 B5R0.1 CCOC(C)=N AM90190 [0,1,0,0,0,0|2,0,0]=3 158 B5R0.1 CCOC(N)=O AM20100253 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.1 CCO[PH](=O)[O-] AMY22458 [0,1,0,0,0,0|3,0,0]=4 160 B5R0.1 CCSC(C)=S AM90236 [0,1,0,0,0,0|1,2,0]=4 161 B5R0.1 CNCC(=O)O AM20080021 [0,1,0,0,0,0|3,0,0]=4 162 B5R0.1 CNCC(C)=O AM806508 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.1 CNCC(N)=O AM82642 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.1 COCC(=N)N AM20120573 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.1 COCC(=O)Cl AMY40728 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.1 COCC(=O)O AMY4059 [0,1,0,0,0,0|2,0,0]=3 167 B5R0.1 COC[C@@H](C)N AMY19545 [0,1,0,0,0,0|2,0,1]=4 168 B5R0.1 COC[C@H](C)O AM20100219 [0,1,0,0,0,0|1,0,2]=4 169 B5R0.1 CSCC(N)=O AMY10906 [0,1,0,0,0,0|2,1,0]=4 170 B5R0.1 C[C@@H](O)CCO AMY25740 [0,1,0,0,0,0|1,0,2]=4 171 B5R0.1 C[C@H](N)CCO AM84886 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.1 C[C@H](N)CCO AM9719 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.1 C[C@H](N)CCO AMY409 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.1 C\C(Br)=C/CO AMY11209 [0,1,0,0,0,0|2,0,0]=3 175 B5R0.1 C\C=C\C(=O)O AMY11255 [0,1,0,0,0,0|3,0,0]=4 176 B5R0.1 C\C=C\C(C)=O AMY31928 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.1 N#CCC(N)=O AM20080019 [0,1,0,0,0,0|3,0,0]=4 178 B5R0.1 N#CNC(N)=O AMY397 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.1 NCCC(=O)O AM20080020 [0,1,0,0,0,0|3,0,0]=4 180 B5R0.1 NCCC(=O)O AMY22128 [0,1,0,0,0,0|3,0,0]=4 181 B5R0.1 NCCC(N)=O AM20100576 [0,1,0,0,0,0|3,0,0]=4 182 B5R0.1 NCCC(N)=O AMY6958 [0,1,0,0,0,0|3,0,0]=4 183 B5R0.1 NNCC(=O)O AMY202100023 [0,1,0,0,0,0|3,0,0]=4 184 B5R0.1 NOCC(=O)O AMY19484 [0,1,0,0,0,0|2,0,0]=3 185 B5R0.1 O=C(Cl)CCBr AM90184 [0,1,0,0,0,0|3,0,0]=4 186 B5R0.1 O=C(O)CCBr AM20100434 [0,1,0,0,0,0|3,0,0]=4 187 B5R0.1 O=C(O)CCF AM803932 [0,1,0,0,0,0|3,0,0]=4 188 B5R0.1 O=C(O)CCO AM85796 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.1 O=C(O)CCS AMY27767 [0,1,0,0,0,0|2,1,0]=4 190 B5R0.1 O=C(O)\C=C/I AMY22685 [0,1,0,0,0,0|3,0,0]=4 191 B5R0.1 O=C(O)\C=C\I AM806037 [0,1,0,0,0,0|3,0,0]=4 192 B5R0.3 C#CC(=O)OC AMY7053 [0,1,0,0,0,0|1,0,1]=3 193 B5R0.3 C=C(CCl)CCl AM80980 [0,1,0,0,0,0|3,0,0]=4 194 B5R0.3 C=C(CO)CO AM20090550 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.3 C=CC(=O)CBr AMY31126 [0,1,0,0,0,0|2,0,0]=3 196 B5R0.3 CCC(=O)CC AMY11060 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.3 CCC(=O)OC AMY21940 [0,1,0,0,0,0|1,0,0]=2 198 B5R0.3 CC[C@@H](N)CO AM85835 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.3 CC[C@@H](O)CO AMY40578 [0,1,0,0,0,0|1,0,2]=4 200 B5R0.3 CC[C@H](N)CO AM85834 [0,1,0,0,0,0|2,0,1]=4 201 B5R0.3 CC[C@H](N)CO AM85988 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.3 CC[C@H](O)CO AMY40584 [0,1,0,0,0,0|1,0,2]=4 203 B5R0.3 CC\C(C)=N\O AM90385 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.3 CN(C=O)C=O AMY39203 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.3 CNC(=O)NN AMY42564 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.3 COC(=O)C=O AMY1633 [0,1,0,0,0,0|1,0,1]=3 207 B5R0.3 COC(=O)CF AM20100155 [0,1,0,0,0,0|1,0,0]=2 208 B5R0.3 COC(=O)CN AM81785 [0,1,0,0,0,0|1,0,0]=2 209 B5R0.3 COC(=O)OC AMY37165 [0,1,0,0,0,0|1,0,0]=2 210 B5R0.3 COS(=O)OC AMY18046 [0,1,0,0,0,0|2,0,0]=3 211 B5R0.3 CO[C@@H](C)CN AMY21775 [0,1,0,0,0,0|2,0,1]=4 212 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,1,0,0,0,0|2,0,1]=4 213 B5R0.3 NC(CO)CO AM20100310 [0,1,0,0,0,0|2,0,1]=4 214 B5R0.3 NC[C@H](F)CO AMY34391 [0,1,0,0,0,0|2,0,1]=4 215 B5R0.3 NC[C@H](O)CO AM20100501 [0,1,0,0,0,0|1,0,2]=4 216 B5R0.3 NC[C@H](O)CO AM20100602 [0,1,0,0,0,0|1,0,2]=4 217 B5R0.3 NC[C@H](O)CO AMY18546 [0,1,0,0,0,0|1,0,2]=4 218 B5R0.3 NNC(=O)CCl AMY39922 [0,1,0,0,0,0|2,0,0]=3 219 B5R0.3 NNC(=O)CO AM803763 [0,1,0,0,0,0|2,0,0]=3 220 B5R0.3 NNC(=O)NN AMY40845 [0,1,0,0,0,0|3,0,0]=4 221 B5R0.3 O=C(CBr)CBr AM85919 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.3 O=C(CO)CBr AMY19754 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.3 OC[C@H](O)CCl AM81448 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.3 OC[C@H](O)CCl AM81449 [0,1,0,0,0,0|1,0,2]=4 226 B5R0.3 OC[C@H](O)CCl AMY21866 [0,1,0,0,0,0|1,0,2]=4 227 B5R0.4 CC(C)(C)CO AMY18878 [0,1,0,0,0,0|2,0,1]=4 228 B5R0.4 CC(C)(N)CO AMY25550 [0,1,0,0,0,0|2,0,1]=4 229 B5R0.4 CC(F)(F)CO AMY1243 [0,1,0,0,0,0|2,0,1]=4 230 B5R0.4 CNS(C)(=O)=O AMY40669 [0,1,0,0,0,0|3,0,0]=4 231 B5R0.4 COC(C)(C)C AMY11032 [0,1,0,0,0,0|2,0,1]=4 232 B5R0.4 CP(C)(=O)CCl AM10868 [0,1,0,0,0,0|3,0,0]=4 233 B5R0.4 CP(C)(=O)CO AM10876 [0,1,0,0,0,0|2,0,0]=3 234 B5R0.4 CS(=O)(=O)NN AM85458 [0,1,0,0,0,0|3,0,0]=4 235 B5R0.4 CSS(C)(=O)=O AM20080910 [0,1,0,0,0,0|2,1,0]=4 236 B5R0.4 C[Si](C)(C)CO AMY36454 [0,1,0,0,0,0|2,1,0]=4 237 B5R0.4 NOS(=O)(=O)O AMY13359 [0,1,0,0,0,0|3,0,0]=4 238 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.5 C=C(C)C(N)=O AMY13351 [0,1,0,0,0,0|2,0,1]=4 240 B5R0.5 C=C(F)C(=O)O AM84938 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.5 CC(=O)C(=O)O AMY6082 [0,1,0,0,0,0|1,0,0]=2 242 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,1,0,0,0,0|1,0,1]=3 243 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,1,0,0,0,0|1,0,1]=3 244 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,1,0,0,0,0|1,0,1]=3 245 B5R0.5 CC(=O)C(C)C AMY11021 [0,1,0,0,0,0|2,0,0]=3 246 B5R0.5 CC(=O)C(F)F AMY6800 [0,1,0,0,0,0|2,0,0]=3 247 B5R0.5 CC(=O)C(O)O AMY25827 [0,1,0,0,0,0|1,0,0]=2 248 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.5 CC(C)B(O)O AM1192 [0,1,0,0,0,0|2,0,1]=4 250 B5R0.5 CC(F)=C(F)F AMY37198 [0,1,0,0,0,0|3,0,0]=4 251 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,1,0,0,0,0|2,0,1]=4 253 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,1,0,0,0,0|2,0,1]=4 254 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,1,0,0,0,0|2,0,1]=4 255 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,1,0,0,0,0|3,0,0]=4 257 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,1,0,0,0,0|2,0,1]=4 259 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,1,0,0,0,0|2,0,1]=4 260 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,1,0,0,0,0|2,0,1]=4 262 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,1,0,0,0,0|3,0,0]=4 265 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,1,0,0,0,0|3,0,0]=4 266 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,1,0,0,0,0|3,0,0]=4 267 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.5 NC(=O)C(N)=O AMY23583 [0,1,0,0,0,0|2,0,1]=4 270 B5R0.5 O=C(O)C(=O)O AMY514 [0,1,0,0,0,0|2,0,0]=3 271 B5R0.5 O=C(O)C(=O)O AMY6125 [0,1,0,0,0,0|2,0,0]=3 272 B5R0.5 O=C(O)C(F)F AM20100014 [0,1,0,0,0,0|3,0,0]=4 273 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,1,0,0,0,0|3,0,0]=4 274 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,1,0,0,0,0|3,0,0]=4 275 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,1,0,0,0,0|3,0,0]=4 276 B5R1.2 BrC1COC1 AM20020035 [0,0,0,1,0,0|2,0,1]=4 277 B5R1.2 ClC1COC1 AMY34839 [0,0,0,1,0,0|2,0,1]=4 278 B5R1.2 FC1COC1 AM20020027 [0,0,0,1,0,0|2,0,1]=4 279 B5R1.2 IC1COC1 AM20020026 [0,0,0,1,0,0|2,0,1]=4 280 B5R1.2 NC1COC1 AM20020021 [0,0,0,1,0,0|2,0,1]=4 281 B5R1.2 NC1COC1 AM85383 [0,0,0,1,0,0|2,0,1]=4 282 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,1,0,0|2,0,1]=4 283 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,1,0,0|2,0,0]=3 284 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,1,0,0|2,0,0]=3 285 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,1,0,0|1,0,0]=2 286 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,1,0,0|2,0,0]=3 287 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,1,0,0|2,0,0]=3 288 B5R1.2 O=C1COC1 AM20020042 [0,0,0,1,0,0|1,0,0]=2 289 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,1,0,0|1,1,0]=3 290 B5R1.2 OC1COC1 AM20020046 [0,0,0,1,0,0|1,0,2]=4 291 B5R1.2 SC1COC1 AMY33758 [0,0,0,1,0,0|1,1,1]=4 292 B5R1.3 OCC1CC1 AM20090298 [0,0,0,1,0,0|2,0,1]=4 293 B5R1.3 OC[C@H]1CO1 AM20100365 [0,0,0,1,0,0|1,0,2]=4 294 B5R1.3 OC[C@H]1CO1 AM20100474 [0,0,0,1,0,0|1,0,2]=4 295 B5R1.3 OC[C@H]1CO1 AM81447 [0,0,0,1,0,0|1,0,2]=4 296 B2R0.1 C=C[CH2-] AMY41856 [2,0,0,0,0,0|1,0,1]=4 297 B2R0.1 C=C[Mg+] AMY14834 [2,0,0,0,0,0|1,0,1]=4 298 B2R0.1 C=C[Mg+] AMY19835 [2,0,0,0,0,0|1,0,1]=4 299 B2R0.1 CCC AMY22280 [2,0,0,0,0,0|1,0,1]=4 300 B2R0.1 CCI AMY39500 [2,0,0,0,0,0|1,0,1]=4 301 B2R0.1 CC[O-] AMY14850 [2,0,0,0,0,0|0,0,2]=4 302 B2R0.1 CNC AM90364 [2,0,0,0,0,0|2,0,0]=4 303 B2R0.1 CNC AMY14900 [2,0,0,0,0,0|2,0,0]=4 304 B2R0.1 CNO AMY23438 [2,0,0,0,0,0|1,0,0]=3 305 B2R0.1 CON AM90382 [2,0,0,0,0,0|1,0,0]=3 306 B2R0.1 CSC AMY11755 [2,0,0,0,0,0|1,1,0]=4 307 B2R0.1 CSC AMY14803 [2,0,0,0,0,0|1,1,0]=4 308 B2R0.1 N=CN AMY2665 [2,0,0,0,0,0|2,0,0]=4 309 B2R0.1 NC=O AMY3583 [2,0,0,0,0,0|1,0,0]=3 310 B2R0.1 NC=S AMY33487 [2,0,0,0,0,0|1,1,0]=4 311 B2R0.1 O=CO AMY11055 [2,0,0,0,0,0|0,0,0]=2 312 B2R0.1 O=P[O-] AMY21929 [2,0,0,0,0,0|1,0,1]=4 313 B2R0.1 O=[AlH3][O-] AMY534 [2,0,0,0,0,0|1,0,1]=4 314 B2R0.1 O=[Se]=O AMY10040 [2,0,0,0,0,0|0,1,1]=4 315 B2R0.1 O=[Si]=O AMY37125 [2,0,0,0,0,0|0,1,1]=4 316 B4R0.2 C#COCC AMY33551 [1,1,0,0,0,0|1,0,1]=4 317 B4R0.2 C=CCCO AMY14291 [1,1,0,0,0,0|1,0,1]=4 318 B4R0.2 C=CCOC AM20100534 [1,1,0,0,0,0|1,0,1]=4 319 B4R0.2 C=CCON AM90375 [1,1,0,0,0,0|1,0,1]=4 320 B4R0.2 CC#CCO AMY19259 [1,1,0,0,0,0|1,0,1]=4 321 B4R0.2 CC\C=C\Br AMY796 [1,1,0,0,0,0|2,0,0]=4 322 B4R0.2 CNCCO AMY32697 [1,1,0,0,0,0|1,0,1]=4 323 B4R0.2 COCCCl AMY25739 [1,1,0,0,0,0|1,0,1]=4 324 B4R0.2 COCCN AM808206 [1,1,0,0,0,0|1,0,1]=4 325 B4R0.2 CSCCO AMY19250 [1,1,0,0,0,0|1,0,1]=4 326 B4R0.2 C\C=C\CCl AMY618 [1,1,0,0,0,0|2,0,0]=4 327 B4R0.2 C\C=C\CO AMY21936 [1,1,0,0,0,0|1,0,0]=3 328 B4R0.2 NCCON AMY10143 [1,1,0,0,0,0|1,0,1]=4 329 B4R0.2 OCCCBr AM20100533 [1,1,0,0,0,0|1,0,1]=4 330 B4R0.2 OCCCCl AMY9478 [1,1,0,0,0,0|1,0,1]=4 331 B4R0.2 OCCCF AM1014 [1,1,0,0,0,0|1,0,1]=4 332 B4R0.3 CC(C)(C)O AMY11058 [1,1,0,0,0,0|1,0,1]=4 333 B4R0.3 CP(=O)(Cl)Cl AMY21900 [1,1,0,0,0,0|2,0,0]=4 334 B4R0.3 CP(=O)(O)O AM20120404 [1,1,0,0,0,0|1,0,0]=3 335 B4R0.3 CS(=O)(=O)O AMY32450 [1,1,0,0,0,0|1,0,0]=3 336 B4R0.3 CS(=O)(=O)[O-] AMY11772 [1,1,0,0,0,0|1,0,1]=4 337 B4R0.3 CS(C)(=N)=O AMY3326 [1,1,0,0,0,0|2,0,0]=4 338 B4R0.3 CS(C)(=O)=O AMY25756 [1,1,0,0,0,0|1,0,1]=4 339 B4R0.3 C[S+](C)(C)=O AMY22243 [1,1,0,0,0,0|2,0,0]=4 340 B4R0.3 C[S+](C)(C)=O AMY24038 [1,1,0,0,0,0|2,0,0]=4 341 B4R0.3 O=P(O)(O)O AMY21801 [1,1,0,0,0,0|2,0,0]=4 342 B4R0.3 O=P(O)(O)O AMY21809 [1,1,0,0,0,0|2,0,0]=4 343 B4R0.3 O=S(=O)(O)O AMY39406 [1,1,0,0,0,0|2,0,0]=4 344 B4R0.3 O=S(=O)(O)O AMY8941 [1,1,0,0,0,0|2,0,0]=4 345 B4R0.3 O=[Cr](=O)(O)O AMY22327 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.1 C#CC(=O)OCC AM20100525 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.1 C=CC(=O)NCC AMY36703 [0,2,0,0,0,0|2,0,0]=4 348 B6R0.1 C=CC(=O)OCC AMY40211 [0,2,0,0,0,0|1,0,1]=4 349 B6R0.1 CC#CC(=O)OC AMY1234 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.1 CCC(=O)CC#N AMY10591 [0,2,0,0,0,0|2,0,0]=4 351 B6R0.1 CCNC(=O)CCl AM802871 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.1 CCNC(=O)NC AM85700 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.1 CCOC(=N)CCl AMY15738 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.1 CCOC(=O)CBr AM20070701 [0,2,0,0,0,0|1,0,0]=3 355 B6R0.1 CCOC(=O)CC AMY21941 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.1 CCOC(=O)CN AM81786 [0,2,0,0,0,0|1,0,0]=3 357 B6R0.1 CCOC(=O)NC AMY3767 [0,2,0,0,0,0|1,0,0]=3 358 B6R0.1 CCOC(=O)NN AMY23328 [0,2,0,0,0,0|2,0,0]=4 359 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.1 CNC(=O)CC#N AM20100565 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.1 CNCC(=O)OC AM82645 [0,2,0,0,0,0|1,0,0]=3 362 B6R0.1 COC(=O)CCBr AMY21872 [0,2,0,0,0,0|1,0,0]=3 363 B6R0.1 COC(=O)CCN AM20090461 [0,2,0,0,0,0|1,0,0]=3 364 B6R0.1 COC(=O)CCO AM85845 [0,2,0,0,0,0|1,0,0]=3 365 B6R0.1 COC(=O)CSC AMY10908 [0,2,0,0,0,0|1,0,0]=3 366 B6R0.1 COC(=O)OCCl AMY37648 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.1 COC(=O)\C=C\I AMY21721 [0,2,0,0,0,0|1,0,1]=4 368 B6R0.1 COCC(=O)NN AMY3068 [0,2,0,0,0,0|2,0,0]=4 369 B6R0.1 COCC(=O)OC AMY4063 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.1 N#CCC(=O)NN AMY5330 [0,2,0,0,0,0|2,0,0]=4 372 B6R0.1 O=C(CCl)CCCl AM9592 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.2 CC(=O)CC(C)C AMY11098 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.2 CC(=O)NC(C)C AMY3785 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.2 CC(C)=CB(O)O AMY021 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,2,0,0,0,0|2,0,0]=4 382 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,2,0,0,0,0|2,0,0]=4 384 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,2,0,0,0,0|2,0,0]=4 385 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,2,0,0,0,0|2,0,0]=4 386 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,2,0,0,0,0|2,0,0]=4 387 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,2,0,0,0,0|2,0,0]=4 388 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,2,0,0,0,0|2,0,0]=4 390 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,2,0,0,0,0|2,0,0]=4 391 B6R0.3 C=C(F)C(=O)OC AM20120633 [0,2,0,0,0,0|1,0,1]=4 392 B6R0.3 C=CC(=O)N(C)C AM84856 [0,2,0,0,0,0|2,0,0]=4 393 B6R0.3 C=CN(C)C(C)=O AMY3934 [0,2,0,0,0,0|2,0,0]=4 394 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,2,0,0,0,0|1,0,1]=4 395 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,2,0,0,0,0|1,0,1]=4 396 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,2,0,0,0,0|1,0,1]=4 397 B6R0.3 CC(C)C(=N)NO AM803769 [0,2,0,0,0,0|2,0,0]=4 398 B6R0.3 CC(C)C(=O)NN AMY3958 [0,2,0,0,0,0|2,0,0]=4 399 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.3 CCC(=O)C(=O)O AM90224 [0,2,0,0,0,0|1,0,0]=3 401 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,2,0,0,0,0|1,0,1]=4 402 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,2,0,0,0,0|1,0,1]=4 403 B6R0.3 CCC(=O)N(C)C AMY38676 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,2,0,0,0,0|2,0,0]=4 405 B6R0.3 CCN(O)C(C)=O AMY33549 [0,2,0,0,0,0|1,0,0]=3 406 B6R0.3 CN(C)C(=O)CCl AM84854 [0,2,0,0,0,0|2,0,0]=4 407 B6R0.3 CN(C)C(=O)CI AM805909 [0,2,0,0,0,0|2,0,0]=4 408 B6R0.3 CN(C)C(=O)CN AM20100689 [0,2,0,0,0,0|2,0,0]=4 409 B6R0.3 CN(C)C(=O)CN AMY4281 [0,2,0,0,0,0|2,0,0]=4 410 B6R0.3 COC(=O)C(=N)N AM804117 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.3 COC(=O)C(C)=O AMY40825 [0,2,0,0,0,0|1,0,0]=3 412 B6R0.3 COC(=O)C(F)F AMY3631 [0,2,0,0,0,0|1,0,0]=3 413 B6R0.3 COC(=O)[C@H](C)Br AMY21873 [0,2,0,0,0,0|1,0,0]=3 414 B6R0.3 COC(=O)[C@H](C)Cl AM81434 [0,2,0,0,0,0|1,0,0]=3 415 B6R0.3 COC(=O)[C@H](C)Cl AM81435 [0,2,0,0,0,0|1,0,0]=3 416 B6R0.3 COC(=O)[C@H](C)Cl AMY3875 [0,2,0,0,0,0|1,0,0]=3 417 B6R0.3 COC(=O)[C@H](C)N AM20080254 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.3 COC(=O)[C@H](C)N AM20090283 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.3 COC(=O)[C@H](C)N AM81485 [0,2,0,0,0,0|1,0,0]=3 420 B6R0.3 CON(C)C(C)=O AM1188 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,2,0,0,0,0|1,0,1]=4 422 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,2,0,0,0,0|1,0,1]=4 423 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,2,0,0,0,0|2,0,0]=4 424 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,2,0,0,0,0|2,0,0]=4 425 B6R0.3 NC(=O)C(N)CO AM806435 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,2,0,0,0,0|2,0,0]=4 429 B6R0.3 NNC(=O)C(F)F AMY7118 [0,2,0,0,0,0|2,0,0]=4 430 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,2,0,0,0,0|2,0,0]=4 431 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,2,0,0,0,0|2,0,0]=4 432 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,2,0,0,0,0|2,0,0]=4 433 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,2,0,0,0,0|1,0,0]=3 434 B6R0.4 C#CCOC(=O)Cl AMY3955 [0,2,0,0,0,0|2,0,0]=4 435 B6R0.4 C#CCOC(C)=O AM90264 [0,2,0,0,0,0|1,0,0]=3 436 B6R0.4 C=CCCC(C)=O AM84335 [0,2,0,0,0,0|2,0,0]=4 437 B6R0.4 C=CCOC(=O)Cl AMY3928 [0,2,0,0,0,0|2,0,0]=4 438 B6R0.4 C=CCOC(C)=O AMY22115 [0,2,0,0,0,0|1,0,0]=3 439 B6R0.4 CC(=O)NCCN AMY40665 [0,2,0,0,0,0|2,0,0]=4 440 B6R0.4 CCCOC(=O)Cl AMY3779 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.4 CCOCC(=O)O AMY4062 [0,2,0,0,0,0|2,0,0]=4 442 B6R0.4 COCCC(=O)O AMY2689 [0,2,0,0,0,0|2,0,0]=4 443 B6R0.4 NC(=O)OCCCl AMY19018 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.5 CCOS(C)(=O)=O AMY38422 [0,2,0,0,0,0|2,0,0]=4 445 B6R0.8 COP(=O)(S)OC AM84934 [0,2,0,0,0,0|2,0,0]=4 446 B6R0.8 COS(=O)(=O)OC AMY40210 [0,2,0,0,0,0|2,0,0]=4 447 B6R0.7 CC(=O)C(C)(C)N AM806454 [0,2,0,0,0,0|2,0,0]=4 448 B6R0.7 CC(=O)C(C)(C)O AM84347 [0,2,0,0,0,0|1,0,0]=3 449 B6R0.7 CC(=O)C(F)(F)F AMY3622 [0,2,0,0,0,0|2,0,0]=4 450 B4R1.1 C1COC1 AM20020039 [1,0,0,1,0,0|1,0,1]=4 451 B4R1.2 C[C@H]1CO1 AM81470 [1,0,0,1,0,0|1,0,1]=4 452 B4R1.2 C[C@H]1CO1 AM81471 [1,0,0,1,0,0|1,0,1]=4 453 B4R1.2 OC1CC1 AMY35209 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.2 C=C1CCOC1 AMY6014 [0,1,0,1,0,0|2,0,0]=4 455 B6R1.2 CC1=CC=CO1 AMY11051 [0,1,0,1,0,0|2,0,0]=4 456 B6R1.2 CC1=CC=NO1 AM20100414 [0,1,0,1,0,0|2,0,0]=4 457 B6R1.2 CC1=COC=N1 AMY32123 [0,1,0,1,0,0|2,0,0]=4 458 B6R1.2 CC1=NC=CO1 AMY24088 [0,1,0,1,0,0|2,0,0]=4 459 B6R1.2 CC1=NN=CO1 AM20090539 [0,1,0,1,0,0|2,0,0]=4 460 B6R1.2 O=C1C=CCC1 AM61702 [0,1,0,1,0,0|2,0,0]=4 461 B6R1.2 O=C1C=CCO1 AM20100212 [0,1,0,1,0,0|1,0,1]=4 462 B6R1.2 O=C1CC=NN1 AMY11924 [0,1,0,1,0,0|2,0,0]=4 463 B6R1.2 O=C1CCCC1 AMY37126 [0,1,0,1,0,0|2,0,0]=4 464 B6R1.2 O=C1CCCN1 AMY25506 [0,1,0,1,0,0|2,0,0]=4 465 B6R1.2 O=C1CCNC1 AM20120384 [0,1,0,1,0,0|2,0,0]=4 466 B6R1.2 O=C1CCNC1 AMY6183 [0,1,0,1,0,0|2,0,0]=4 467 B6R1.2 O=C1CCNN1 AMY39277 [0,1,0,1,0,0|2,0,0]=4 468 B6R1.2 O=C1CCOC1 AM20090235 [0,1,0,1,0,0|1,0,0]=3 469 B6R1.2 O=C1CCSC1 AMY23378 [0,1,0,1,0,0|1,1,0]=4 470 B6R1.2 O=C1CNCN1 AM84594 [0,1,0,1,0,0|2,0,0]=4 471 B6R1.2 O=C1NCCN1 AM20080146 [0,1,0,1,0,0|2,0,0]=4 472 B6R1.2 O=C1NCCO1 AMY39498 [0,1,0,1,0,0|1,0,0]=3 473 B6R1.2 O=C1OC=CO1 AMY10397 [0,1,0,1,0,0|1,0,1]=4 474 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,1,0,0|2,0,0]=4 475 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,1,0,0|2,0,0]=4 476 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,1,0,0|1,0,0]=3 477 B6R1.11 CC(=O)C1CC1 AM83286 [0,1,0,1,0,0|2,0,0]=4 478 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [0,1,0,1,0,0|2,0,0]=4 479 B6R1.6 O=CC1COC1 AMY38489 [0,1,0,1,0,0|1,0,1]=4