0 B3R0.1 BrCCBr AMY25519 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.1 C#CCBr AM85466 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.1 C#CCN AM86798 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.1 C#CCN AMY22227 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.1 C=CCN AMY22118 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.1 CC#C[Mg+] AMY1254 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.1 CCCO AMY11110 [0,0,0,0,0,0|0,0,2]=2 7 B3R0.1 CCNN AM10026 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.1 CCNN AMY202003286 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.1 CCON AM90373 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.1 CN=C=S AMY11073 [0,0,0,0,0,0|1,1,1]=3 11 B3R0.1 CNOC AM20100609 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.1 CSSC AMY39506 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.1 C[Se][Se]C AMY31938 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.1 C\C=C\Br AMY19968 [0,0,0,0,0,0|1,0,1]=2 15 B3R0.1 ClCCBr AMY25520 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.1 ClCCCl AMY33455 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.1 ClSSCl AMY33535 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.1 FCCBr AMY39418 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.1 FCCI AM20100746 [0,0,0,0,0,0|2,0,1]=3 20 B3R0.1 N#CCBr AMY21970 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.1 N#CCF AMY33527 [0,0,0,0,0,0|2,0,1]=3 22 B3R0.1 N#CCN AMY19488 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.1 NCCBr AM20090316 [0,0,0,0,0,0|2,0,1]=3 24 B3R0.1 NCCCl AMY3602 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.1 NCCF AM20100176 [0,0,0,0,0,0|2,0,1]=3 26 B3R0.1 NCCS AMY202100105 [0,0,0,0,0,0|1,1,1]=3 27 B3R0.1 NNC=O AM9981 [0,0,0,0,0,0|2,0,0]=2 28 B3R0.1 OCCBr AMY39504 [0,0,0,0,0,0|1,0,2]=3 29 B3R0.1 OCCF AMY25659 [0,0,0,0,0,0|1,0,2]=3 30 B3R0.1 OCCO AMY22336 [0,0,0,0,0,0|1,0,2]=3 31 B2R0.1 BrCBr AMY11088 [1,0,0,0,0,0|2,0,0]=3 32 B2R0.1 C#C[Mg+] AMY19960 [1,0,0,0,0,0|1,0,2]=4 33 B2R0.1 C#C[Mg+] AMY19961 [1,0,0,0,0,0|1,0,2]=4 34 B2R0.1 C=C[CH2-] AMY41856 [1,0,0,0,0,0|0,0,2]=3 35 B2R0.1 C=C[Mg+] AMY14834 [1,0,0,0,0,0|1,0,1]=3 36 B2R0.1 C=C[Mg+] AMY19835 [1,0,0,0,0,0|1,0,1]=3 37 B2R0.1 CCC AMY22280 [1,0,0,0,0,0|0,0,1]=2 38 B2R0.1 CCI AMY39500 [1,0,0,0,0,0|1,0,0]=2 39 B2R0.1 CC[O-] AMY14850 [1,0,0,0,0,0|0,0,1]=2 40 B2R0.1 CNC AM90364 [1,0,0,0,0,0|1,0,1]=3 41 B2R0.1 CNC AMY14900 [1,0,0,0,0,0|1,0,1]=3 42 B2R0.1 CNO AMY23438 [1,0,0,0,0,0|1,0,1]=3 43 B2R0.1 CON AM90382 [1,0,0,0,0,0|2,0,0]=3 44 B2R0.1 CSC AMY11755 [1,0,0,0,0,0|1,0,1]=3 45 B2R0.1 CSC AMY14803 [1,0,0,0,0,0|1,0,1]=3 46 B2R0.1 ClCBr AMY11119 [1,0,0,0,0,0|2,0,0]=3 47 B2R0.1 ClCI AMY2690 [1,0,0,0,0,0|2,0,0]=3 48 B2R0.1 Cl[Pd]Cl AMY39310 [1,0,0,0,0,0|3,0,0]=4 49 B2R0.1 FCBr AMY6811 [1,0,0,0,0,0|2,0,0]=3 50 B2R0.1 FCF AMY37122 [1,0,0,0,0,0|2,0,0]=3 51 B2R0.1 ICI AMY25773 [1,0,0,0,0,0|2,0,0]=3 52 B2R0.1 N#CN AMY6233 [1,0,0,0,0,0|2,0,1]=4 53 B2R0.1 N=CN AMY2665 [1,0,0,0,0,0|2,0,0]=3 54 B2R0.1 NC=O AMY3583 [1,0,0,0,0,0|1,0,0]=2 55 B2R0.1 NC=S AMY33487 [1,0,0,0,0,0|1,1,0]=3 56 B2R0.1 O=CO AMY11055 [1,0,0,0,0,0|1,0,0]=2 57 B2R0.1 O=P[O-] AMY21929 [1,0,0,0,0,0|2,0,0]=3 58 B2R0.1 O=[AlH3][O-] AMY534 [1,0,0,0,0,0|2,0,0]=3 59 B2R0.1 O=[Se]=O AMY10040 [1,0,0,0,0,0|2,0,0]=3 60 B2R0.1 O=[Si]=O AMY37125 [1,0,0,0,0,0|1,1,0]=3 61 B2R0.1 [BH3-]C#N AMY31069 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C#CC(=O)O AMY7000 [0,1,0,0,0,0|0,0,2]=3 63 B4R0.1 C#CC(N)=O AM20100705 [0,1,0,0,0,0|0,0,2]=3 64 B4R0.1 C#C[C@@H](C)O AMY24232 [0,1,0,0,0,0|1,0,1]=3 65 B4R0.1 C#C[C@H](C)Br AMY12092 [0,1,0,0,0,0|1,0,1]=3 66 B4R0.1 C#C[C@H](C)N AM806670 [0,1,0,0,0,0|1,0,1]=3 67 B4R0.1 C#C[C@H](C)O AMY34392 [0,1,0,0,0,0|1,0,1]=3 68 B4R0.1 C=C(Br)C=O AMY19362 [0,1,0,0,0,0|0,0,2]=3 69 B4R0.1 C=C(C)C=O AMY28760 [0,1,0,0,0,0|0,0,1]=2 70 B4R0.1 C=C(C)CBr AM85592 [0,1,0,0,0,0|2,0,0]=3 71 B4R0.1 C=C(C)CN AMY13356 [0,1,0,0,0,0|2,0,0]=3 72 B4R0.1 C=C(Cl)C#N AMY25815 [0,1,0,0,0,0|2,0,1]=4 73 B4R0.1 C=C(Cl)CCl AMY4111 [0,1,0,0,0,0|2,0,0]=3 74 B4R0.1 C=C=C(C)C AMY42296 [0,1,0,0,0,0|1,0,2]=4 75 B4R0.1 C=CC(=C)C AMY37001 [0,1,0,0,0,0|1,0,1]=3 76 B4R0.1 C=CC(=O)Cl AMY18873 [0,1,0,0,0,0|0,0,2]=3 77 B4R0.1 C=CC(=O)[O-] AMY3817 [0,1,0,0,0,0|0,0,2]=3 78 B4R0.1 C=C[C@H](C)Cl AMY617 [0,1,0,0,0,0|1,0,0]=2 79 B4R0.1 C=C[C@H](C)O AMY1257 [0,1,0,0,0,0|1,0,0]=2 80 B4R0.1 C=C[N+](=O)[O-] AMY36706 [0,1,0,0,0,0|1,0,2]=4 81 B4R0.1 CC(=N)NO AMY18111 [0,1,0,0,0,0|1,0,2]=4 82 B4R0.1 CC(=O)C#N AMY39183 [0,1,0,0,0,0|1,0,1]=3 83 B4R0.1 CC(=O)CBr AM85840 [0,1,0,0,0,0|1,0,0]=2 84 B4R0.1 CC(=O)CN AMY15017 [0,1,0,0,0,0|1,0,0]=2 85 B4R0.1 CC(=O)CN AMY25062 [0,1,0,0,0,0|1,0,0]=2 86 B4R0.1 CC(=O)NN AM20080014 [0,1,0,0,0,0|2,0,0]=3 87 B4R0.1 CC(=O)NO AM20100343 [0,1,0,0,0,0|2,0,0]=3 88 B4R0.1 CC(C)=CBr AM85707 [0,1,0,0,0,0|1,0,1]=3 89 B4R0.1 CC(C)=NN AM9761 [0,1,0,0,0,0|2,0,1]=4 90 B4R0.1 CC(C)=NO AM90369 [0,1,0,0,0,0|1,0,2]=4 91 B4R0.1 CC(C)CBr AMY25783 [0,1,0,0,0,0|1,0,1]=3 92 B4R0.1 CC(C)NN AM20090002 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.1 CC(C)NN AMY202003297 [0,1,0,0,0,0|2,0,0]=3 94 B4R0.1 CC(C)ON AM90376 [0,1,0,0,0,0|2,0,0]=3 95 B4R0.1 CCB(O)O AM80871 [0,1,0,0,0,0|1,0,1]=3 96 B4R0.1 CCC(=N)N AM803843 [0,1,0,0,0,0|1,0,0]=2 97 B4R0.1 CCC(=O)Cl AMY4112 [0,1,0,0,0,0|0,0,0]=1 98 B4R0.1 CCC(=O)O AMY4114 [0,1,0,0,0,0|0,0,0]=1 99 B4R0.1 CCC(=O)[O-] AMY22300 [0,1,0,0,0,0|0,0,0]=1 100 B4R0.1 CCC(=O)[O-] AMY37013 [0,1,0,0,0,0|0,0,0]=1 101 B4R0.1 CCC(C)[O-] AMY22246 [0,1,0,0,0,0|0,0,2]=3 102 B4R0.1 CCC(N)=S AMY39288 [0,1,0,0,0,0|0,1,0]=2 103 B4R0.1 CCN(C)C AMY13339 [0,1,0,0,0,0|2,0,0]=3 104 B4R0.1 CC[C@H](C)O AMY11001 [0,1,0,0,0,0|0,0,2]=3 105 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,1,0,0,0,0|1,0,0]=2 106 B4R0.1 CN(C)C=S AMY40664 [0,1,0,0,0,0|1,1,0]=3 107 B4R0.1 CN(C)CCl AMY39211 [0,1,0,0,0,0|2,0,1]=4 108 B4R0.1 CNC(=N)N AM20090228 [0,1,0,0,0,0|2,0,0]=3 109 B4R0.1 CNC(C)=O AMY4115 [0,1,0,0,0,0|1,0,0]=2 110 B4R0.1 CNC(C)C AMY13353 [0,1,0,0,0,0|2,0,0]=3 111 B4R0.1 CNC(N)=O AMY40217 [0,1,0,0,0,0|1,0,0]=2 112 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|2,0,0]=3 117 B4R0.1 CSC(=N)N AMY304 [0,1,0,0,0,0|2,0,0]=3 118 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,1,0,0,0,0|0,0,2]=3 119 B4R0.1 C[C@@H](N)CN AMY3648 [0,1,0,0,0,0|1,0,1]=3 120 B4R0.1 C[C@H](Br)C#N AMY39192 [0,1,0,0,0,0|1,0,1]=3 121 B4R0.1 C[C@H](Cl)CO AMY21357 [0,1,0,0,0,0|0,0,2]=3 122 B4R0.1 C[C@H](N)C#N AM9634 [0,1,0,0,0,0|1,0,1]=3 123 B4R0.1 C[C@H](N)CN AMY3672 [0,1,0,0,0,0|1,0,1]=3 124 B4R0.1 C[C@H](N)CO AM20090557 [0,1,0,0,0,0|0,0,2]=3 125 B4R0.1 C[C@H](N)CO AM20100507 [0,1,0,0,0,0|0,0,2]=3 126 B4R0.1 C[C@H](O)CN AM20090353 [0,1,0,0,0,0|1,0,1]=3 127 B4R0.1 C[C@H](O)CN AM20100779 [0,1,0,0,0,0|1,0,1]=3 128 B4R0.1 C[C@H](O)CN AM81450 [0,1,0,0,0,0|1,0,1]=3 129 B4R0.1 FC(F)CCl AMY6873 [0,1,0,0,0,0|2,0,1]=4 130 B4R0.1 FC(F)CI AMY20040 [0,1,0,0,0,0|2,0,1]=4 131 B4R0.1 F[C@@H](Br)CBr AMY6863 [0,1,0,0,0,0|2,0,1]=4 132 B4R0.1 N#CC(Cl)Cl AMY3929 [0,1,0,0,0,0|2,0,1]=4 133 B4R0.1 N=C(N)NN AMY40484 [0,1,0,0,0,0|3,0,0]=4 134 B4R0.1 N=C(N)NN AMY873 [0,1,0,0,0,0|3,0,0]=4 135 B4R0.1 N=C(N)NO AMY31983 [0,1,0,0,0,0|3,0,0]=4 136 B4R0.1 NC(=O)CBr AM85872 [0,1,0,0,0,0|1,0,0]=2 137 B4R0.1 NC(=O)CCl AMY4113 [0,1,0,0,0,0|1,0,0]=2 138 B4R0.1 NC(=O)NO AMY40858 [0,1,0,0,0,0|2,0,0]=3 139 B4R0.1 NCC(=O)O AM81781 [0,1,0,0,0,0|1,0,0]=2 140 B4R0.1 NCC(=O)[O-] AMY37022 [0,1,0,0,0,0|1,0,0]=2 141 B4R0.1 NCC(F)F AMY7132 [0,1,0,0,0,0|2,0,1]=4 142 B4R0.1 NCC(N)=O AM20080473 [0,1,0,0,0,0|1,0,0]=2 143 B4R0.1 NCC(N)=O AMY20517 [0,1,0,0,0,0|1,0,0]=2 144 B4R0.1 NCC(N)=O AMY22705 [0,1,0,0,0,0|1,0,0]=2 145 B4R0.1 NNC(N)=S AM20100785 [0,1,0,0,0,0|2,1,0]=4 146 B4R0.1 O=C(Br)CBr AMY21867 [0,1,0,0,0,0|1,0,0]=2 147 B4R0.1 O=C(Cl)CBr AMY13645 [0,1,0,0,0,0|1,0,0]=2 148 B4R0.1 O=C(Cl)CCl AMY40193 [0,1,0,0,0,0|1,0,0]=2 149 B4R0.1 O=C([O-])CS AMY25320 [0,1,0,0,0,0|1,0,0]=2 150 B4R0.1 O=CC(=O)O AMY40947 [0,1,0,0,0,0|1,0,1]=3 151 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,1,0,0,0,0|2,0,0]=3 152 B4R0.1 OCC(F)F AMY3957 [0,1,0,0,0,0|1,0,2]=4 153 B4R0.1 ON=C(Br)Br AMY16047 [0,1,0,0,0,0|3,0,0]=4 154 B4R0.1 [Li]CC(C)C AMY14929 [0,1,0,0,0,0|1,0,1]=3 155 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,1,0,0,0,0|1,0,1]=3 156 B4R0.2 BrCCCBr AMY25527 [0,1,0,0,0,0|1,0,1]=3 157 B4R0.2 C#CCCBr AMY1272 [0,1,0,0,0,0|1,0,1]=3 158 B4R0.2 C#CCOC AMY1246 [0,1,0,0,0,0|1,0,1]=3 159 B4R0.2 C#COCC AMY33551 [0,1,0,0,0,0|1,0,1]=3 160 B4R0.2 C=CCCCl AMY11185 [0,1,0,0,0,0|1,0,0]=2 161 B4R0.2 C=CCCO AMY14291 [0,1,0,0,0,0|1,0,0]=2 162 B4R0.2 C=CCNC AMY13350 [0,1,0,0,0,0|1,0,0]=2 163 B4R0.2 C=CCNN AM806419 [0,1,0,0,0,0|2,0,0]=3 164 B4R0.2 C=CCOC AM20100534 [0,1,0,0,0,0|1,0,0]=2 165 B4R0.2 C=CCON AM90375 [0,1,0,0,0,0|2,0,0]=3 166 B4R0.2 C=NCC#N AMY24166 [0,1,0,0,0,0|1,0,2]=4 167 B4R0.2 CC#CCBr AMY1227 [0,1,0,0,0,0|1,0,2]=4 168 B4R0.2 CC#CCO AMY19259 [0,1,0,0,0,0|0,0,3]=4 169 B4R0.2 CCCCN AMY21914 [0,1,0,0,0,0|1,0,1]=3 170 B4R0.2 CCCNN AM9771 [0,1,0,0,0,0|1,0,1]=3 171 B4R0.2 CCNCC AMY25752 [0,1,0,0,0,0|1,0,1]=3 172 B4R0.2 CCPCC AMY11725 [0,1,0,0,0,0|1,0,1]=3 173 B4R0.2 CC\C=C\Br AMY796 [0,1,0,0,0,0|1,0,0]=2 174 B4R0.2 CNCC#N AM20090317 [0,1,0,0,0,0|1,0,1]=3 175 B4R0.2 CNCCCl AM803928 [0,1,0,0,0,0|1,0,1]=3 176 B4R0.2 CNCCF AMY202003232 [0,1,0,0,0,0|1,0,1]=3 177 B4R0.2 CNCCO AMY32697 [0,1,0,0,0,0|0,0,2]=3 178 B4R0.2 COCCCl AMY25739 [0,1,0,0,0,0|1,0,1]=3 179 B4R0.2 COCCN AM808206 [0,1,0,0,0,0|1,0,1]=3 180 B4R0.2 CSCCCl AMY15533 [0,1,0,0,0,0|1,0,1]=3 181 B4R0.2 CSCCN AMY33509 [0,1,0,0,0,0|1,0,1]=3 182 B4R0.2 CSCCO AMY19250 [0,1,0,0,0,0|0,0,2]=3 183 B4R0.2 C\C=C\CCl AMY618 [0,1,0,0,0,0|1,0,1]=3 184 B4R0.2 C\C=C\CO AMY21936 [0,1,0,0,0,0|0,0,2]=3 185 B4R0.2 ClCCCBr AMY40180 [0,1,0,0,0,0|1,0,1]=3 186 B4R0.2 ClCCCCl AMY22013 [0,1,0,0,0,0|1,0,1]=3 187 B4R0.2 ClCCCI AMY25762 [0,1,0,0,0,0|1,0,1]=3 188 B4R0.2 FCCCBr AMY28674 [0,1,0,0,0,0|1,0,1]=3 189 B4R0.2 N#CCC#N AMY40191 [0,1,0,0,0,0|1,0,2]=4 190 B4R0.2 N#CCCCl AMY21819 [0,1,0,0,0,0|1,0,1]=3 191 B4R0.2 NCCCBr AM20100225 [0,1,0,0,0,0|1,0,1]=3 192 B4R0.2 NCCCN AMY21886 [0,1,0,0,0,0|1,0,1]=3 193 B4R0.2 NCCON AMY10143 [0,1,0,0,0,0|2,0,0]=3 194 B4R0.2 NNCCO AM20080045 [0,1,0,0,0,0|2,0,0]=3 195 B4R0.2 OCCCBr AM20100533 [0,1,0,0,0,0|0,0,2]=3 196 B4R0.2 OCCCCl AMY9478 [0,1,0,0,0,0|0,0,2]=3 197 B4R0.2 OCCCF AM1014 [0,1,0,0,0,0|0,0,2]=3 198 B4R0.2 SCCCBr AM806637 [0,1,0,0,0,0|0,1,1]=3 199 B4R0.2 [Li]CCCC AMY14790 [0,1,0,0,0,0|1,0,1]=3 200 B4R1.1 C1CNC1 AM20080889 [0,0,0,1,0,0|1,0,1]=3 201 B4R1.1 C1CNC1 AM20090583 [0,0,0,1,0,0|1,0,1]=3 202 B4R1.1 C1COC1 AM20020039 [0,0,0,1,0,0|0,0,2]=3 203 B4R1.2 BrC1CC1 AM90210 [0,0,0,1,0,0|1,0,1]=3 204 B4R1.2 C[C@H]1CO1 AM81470 [0,0,0,1,0,0|0,0,2]=3 205 B4R1.2 C[C@H]1CO1 AM81471 [0,0,0,1,0,0|0,0,2]=3 206 B4R1.2 NC1CC1 AM804333 [0,0,0,1,0,0|1,0,1]=3 207 B4R1.2 OC1CC1 AMY35209 [0,0,0,1,0,0|0,0,2]=3 208 B1R0.1 C=O AMY6741 [2,0,0,0,0,0|0,0,0]=2 209 B1R0.1 CN AMY40155 [2,0,0,0,0,0|1,0,0]=3 210 B1R0.1 C[Mg+] AMY39537 [2,0,0,0,0,0|1,0,0]=3 211 B1R0.1 C[Mg+] AMY862 [2,0,0,0,0,0|1,0,0]=3 212 B1R0.1 C[O-] AMY14791 [2,0,0,0,0,0|0,0,1]=3 213 B1R0.1 ClI AMY39425 [2,0,0,0,0,0|2,0,0]=4 214 B1R0.1 II AMY39508 [2,0,0,0,0,0|2,0,0]=4 215 B1R0.1 NCl AMY37006 [2,0,0,0,0,0|2,0,0]=4 216 B1R0.1 NN AMY8940 [2,0,0,0,0,0|2,0,0]=4 217 B1R0.1 NO AMY3592 [2,0,0,0,0,0|1,0,1]=4 218 B1R0.1 [C-]#[O+] AMY22309 [2,0,0,0,0,0|0,0,2]=4 219 B3R0.2 BrC(Br)Br AMY21869 [1,1,0,0,0,0|2,0,0]=4 220 B3R0.2 C=C(C)Br AMY955 [1,1,0,0,0,0|0,0,1]=3 221 B3R0.2 C=C(C)[Mg+] AMY1042 [1,1,0,0,0,0|0,0,1]=3 222 B3R0.2 C=C(F)Cl AMY6847 [1,1,0,0,0,0|1,0,1]=4 223 B3R0.2 CC(=O)Br AMY21856 [1,1,0,0,0,0|0,0,0]=2 224 B3R0.2 CC(=O)O AMY21906 [1,1,0,0,0,0|0,0,0]=2 225 B3R0.2 CC(=O)O AMY41276 [1,1,0,0,0,0|0,0,0]=2 226 B3R0.2 CC(=O)[O-] AMY11747 [1,1,0,0,0,0|0,0,0]=2 227 B3R0.2 CC(=O)[O-] AMY1789 [1,1,0,0,0,0|0,0,0]=2 228 B3R0.2 CC(=O)[O-] AMY22485 [1,1,0,0,0,0|0,0,0]=2 229 B3R0.2 CC(=O)[O-] AMY22494 [1,1,0,0,0,0|0,0,0]=2 230 B3R0.2 CC(=O)[O-] AMY23396 [1,1,0,0,0,0|0,0,0]=2 231 B3R0.2 CC(=O)[O-] AMY23411 [1,1,0,0,0,0|0,0,0]=2 232 B3R0.2 CC(=O)[O-] AMY37172 [1,1,0,0,0,0|0,0,0]=2 233 B3R0.2 CC(=O)[O-] AMY9236 [1,1,0,0,0,0|0,0,0]=2 234 B3R0.2 CC(C)Br AMY37129 [1,1,0,0,0,0|0,0,1]=3 235 B3R0.2 CC(C)O AMY11029 [1,1,0,0,0,0|0,0,1]=3 236 B3R0.2 CC(C)[Mg+] AMY40195 [1,1,0,0,0,0|0,0,1]=3 237 B3R0.2 CC(C)[O-] AMY38606 [1,1,0,0,0,0|0,0,1]=3 238 B3R0.2 CC(C)[O-] AMY40472 [1,1,0,0,0,0|0,0,1]=3 239 B3R0.2 CP(C)C AMY19776 [1,1,0,0,0,0|1,0,1]=4 240 B3R0.2 CS(C)=O AMY14894 [1,1,0,0,0,0|1,0,0]=3 241 B3R0.2 C[PH](C)=O AM90266 [1,1,0,0,0,0|1,0,0]=3 242 B3R0.2 C[S+](C)C AMY12539 [1,1,0,0,0,0|1,0,1]=4 243 B3R0.2 C[S+](C)C AMY9344 [1,1,0,0,0,0|1,0,1]=4 244 B3R0.2 C[SiH](C)C AMY21899 [1,1,0,0,0,0|0,1,1]=4 245 B3R0.2 FC(Br)Br AMY6818 [1,1,0,0,0,0|2,0,0]=4 246 B3R0.2 N=C(N)N AMY21875 [1,1,0,0,0,0|2,0,0]=4 247 B3R0.2 NC(=S)S AMY40763 [1,1,0,0,0,0|1,1,0]=4 248 B3R0.2 NC(N)=O AMY37159 [1,1,0,0,0,0|1,0,0]=3 249 B3R0.2 NC(N)=S AMY40190 [1,1,0,0,0,0|1,1,0]=4 250 B3R0.2 N[13C](N)=O AMY37002 [1,1,0,0,0,0|1,0,0]=3 251 B3R0.2 O=C([O-])O AMY40219 [1,1,0,0,0,0|1,0,0]=3 252 B3R0.2 O=C([O-])[O-] AMY31070 [1,1,0,0,0,0|1,0,0]=3 253 B3R0.2 O=[N+]([O-])[O-] AMY22245 [1,1,0,0,0,0|2,0,0]=4 254 B3R0.2 O=[N+]([O-])[O-] AMY22270 [1,1,0,0,0,0|2,0,0]=4 255 B3R0.2 O=[N+]([O-])[O-] AMY22502 [1,1,0,0,0,0|2,0,0]=4 256 B3R0.2 O=[Si]([O-])[O-] AMY37025 [1,1,0,0,0,0|1,1,0]=4 257 B5R0.1 C#CCC(=O)O AMY19285 [0,2,0,0,0,0|0,0,1]=3 258 B5R0.1 C=C(C)CCBr AMY7022 [0,2,0,0,0,0|1,0,0]=3 259 B5R0.1 C=CCC(C)=O AMY31929 [0,2,0,0,0,0|0,0,1]=3 260 B5R0.1 C=CC[C@H](C)N AM9152 [0,2,0,0,0,0|1,0,0]=3 261 B5R0.1 C=CC[C@H](C)O AM804193 [0,2,0,0,0,0|1,0,0]=3 262 B5R0.1 CC#CC(=O)Cl AMY41204 [0,2,0,0,0,0|0,0,1]=3 263 B5R0.1 CC#CC(=O)O AM90222 [0,2,0,0,0,0|0,0,1]=3 264 B5R0.1 CC(=O)CC#N AM86800 [0,2,0,0,0,0|0,0,1]=3 265 B5R0.1 CC(=O)CC#N AMY7035 [0,2,0,0,0,0|0,0,1]=3 266 B5R0.1 CC(=O)CCO AMY31061 [0,2,0,0,0,0|0,0,0]=2 267 B5R0.1 CC(=O)OCCl AMY28690 [0,2,0,0,0,0|1,0,0]=3 268 B5R0.1 CC(=O)\C=N\O AM806560 [0,2,0,0,0,0|0,0,2]=4 269 B5R0.1 CC(C)=CC=O AMY42093 [0,2,0,0,0,0|0,0,1]=3 270 B5R0.1 CC(C)=CCBr AMY21882 [0,2,0,0,0,0|1,0,1]=4 271 B5R0.1 CC(C)CNN AM806328 [0,2,0,0,0,0|1,0,1]=4 272 B5R0.1 CC(C)CNN AM9787 [0,2,0,0,0,0|1,0,1]=4 273 B5R0.1 CC(C)CON AMY31434 [0,2,0,0,0,0|0,0,2]=4 274 B5R0.1 CC(C)OCCl AMY23885 [0,2,0,0,0,0|1,0,1]=4 275 B5R0.1 CC(C)\C=N\O AMY37290 [0,2,0,0,0,0|0,0,1]=3 276 B5R0.1 CCCB(O)O AMY987 [0,2,0,0,0,0|0,0,2]=4 277 B5R0.1 CCCC(=N)N AM802888 [0,2,0,0,0,0|1,0,0]=3 278 B5R0.1 CCCC(=N)N AMY2389 [0,2,0,0,0,0|1,0,0]=3 279 B5R0.1 CCCC(C)=O AMY25524 [0,2,0,0,0,0|0,0,0]=2 280 B5R0.1 CCC[C@H](C)N AMY12548 [0,2,0,0,0,0|1,0,1]=4 281 B5R0.1 CCNC(=N)N AMY1900 [0,2,0,0,0,0|1,0,0]=3 282 B5R0.1 CCNC(C)C AMY13342 [0,2,0,0,0,0|1,0,1]=4 283 B5R0.1 CCNC(N)=S AMY18739 [0,2,0,0,0,0|0,1,0]=3 284 B5R0.1 CCOC(=S)[S-] AM20080300 [0,2,0,0,0,0|0,1,0]=3 285 B5R0.1 CCOC(C)=N AM90190 [0,2,0,0,0,0|1,0,0]=3 286 B5R0.1 CCOC(N)=O AM20100253 [0,2,0,0,0,0|0,0,0]=2 287 B5R0.1 CCO[PH](=O)[O-] AMY22458 [0,2,0,0,0,0|1,0,0]=3 288 B5R0.1 CCSC(C)=S AM90236 [0,2,0,0,0,0|0,1,0]=3 289 B5R0.1 CN(C)CCBr AM84884 [0,2,0,0,0,0|1,0,1]=4 290 B5R0.1 CN(C)CCCl AM20080022 [0,2,0,0,0,0|1,0,1]=4 291 B5R0.1 CN(C)CCCl AM20100171 [0,2,0,0,0,0|1,0,1]=4 292 B5R0.1 CN(C)CCN AM20080032 [0,2,0,0,0,0|1,0,1]=4 293 B5R0.1 CNCC(=O)O AM20080021 [0,2,0,0,0,0|0,0,0]=2 294 B5R0.1 CNCC(C)=O AM806508 [0,2,0,0,0,0|0,0,0]=2 295 B5R0.1 CNCC(N)=O AM82642 [0,2,0,0,0,0|0,0,0]=2 296 B5R0.1 COCC(=N)N AM20120573 [0,2,0,0,0,0|1,0,0]=3 297 B5R0.1 COCC(=O)Cl AMY40728 [0,2,0,0,0,0|0,0,0]=2 298 B5R0.1 COCC(=O)O AMY4059 [0,2,0,0,0,0|0,0,0]=2 299 B5R0.1 COC[C@@H](C)N AMY19545 [0,2,0,0,0,0|0,0,2]=4 300 B5R0.1 COC[C@H](C)O AM20100219 [0,2,0,0,0,0|0,0,2]=4 301 B5R0.1 CSCC(N)=O AMY10906 [0,2,0,0,0,0|0,0,0]=2 302 B5R0.1 C[C@@H](O)CCO AMY25740 [0,2,0,0,0,0|0,0,2]=4 303 B5R0.1 C[C@H](N)CCO AM84886 [0,2,0,0,0,0|0,0,2]=4 304 B5R0.1 C[C@H](N)CCO AM9719 [0,2,0,0,0,0|0,0,2]=4 305 B5R0.1 C[C@H](N)CCO AMY409 [0,2,0,0,0,0|0,0,2]=4 306 B5R0.1 C[C@H](O)CNN AM803409 [0,2,0,0,0,0|1,0,1]=4 307 B5R0.1 C\C(Br)=C/CO AMY11209 [0,2,0,0,0,0|0,0,2]=4 308 B5R0.1 C\C=C\C(=O)O AMY11255 [0,2,0,0,0,0|0,0,1]=3 309 B5R0.1 C\C=C\C(C)=O AMY31928 [0,2,0,0,0,0|0,0,1]=3 310 B5R0.1 C\C=C\[N+](=O)[O-] AMY23936 [0,2,0,0,0,0|0,0,1]=3 311 B5R0.1 N#CCC(N)=O AM20080019 [0,2,0,0,0,0|0,0,1]=3 312 B5R0.1 N#CNC(N)=O AMY397 [0,2,0,0,0,0|1,0,1]=4 313 B5R0.1 NCCC(=O)O AM20080020 [0,2,0,0,0,0|0,0,0]=2 314 B5R0.1 NCCC(=O)O AMY22128 [0,2,0,0,0,0|0,0,0]=2 315 B5R0.1 NCCC(N)=O AM20100576 [0,2,0,0,0,0|0,0,0]=2 316 B5R0.1 NCCC(N)=O AMY6958 [0,2,0,0,0,0|0,0,0]=2 317 B5R0.1 NNCC(=O)O AMY202100023 [0,2,0,0,0,0|1,0,0]=3 318 B5R0.1 NOCC(=O)O AMY19484 [0,2,0,0,0,0|1,0,0]=3 319 B5R0.1 O=C(Cl)CCBr AM90184 [0,2,0,0,0,0|0,0,0]=2 320 B5R0.1 O=C(O)CCBr AM20100434 [0,2,0,0,0,0|0,0,0]=2 321 B5R0.1 O=C(O)CCF AM803932 [0,2,0,0,0,0|0,0,0]=2 322 B5R0.1 O=C(O)CCO AM85796 [0,2,0,0,0,0|0,0,0]=2 323 B5R0.1 O=C(O)CCS AMY27767 [0,2,0,0,0,0|0,0,0]=2 324 B5R0.1 O=C(O)\C=C/I AMY22685 [0,2,0,0,0,0|0,0,2]=4 325 B5R0.1 O=C(O)\C=C\I AM806037 [0,2,0,0,0,0|0,0,2]=4 326 B5R0.3 C#CC(=O)OC AMY7053 [0,2,0,0,0,0|1,0,0]=3 327 B5R0.3 C=C(CCl)CCl AM80980 [0,2,0,0,0,0|2,0,0]=4 328 B5R0.3 C=C(CO)CO AM20090550 [0,2,0,0,0,0|1,0,1]=4 329 B5R0.3 C=CC(=O)CBr AMY31126 [0,2,0,0,0,0|1,0,0]=3 330 B5R0.3 C=CC(O)C=C AMY14244 [0,2,0,0,0,0|1,0,1]=4 331 B5R0.3 C=C[C@@H](O)CC AMY851 [0,2,0,0,0,0|1,0,0]=3 332 B5R0.3 C=C[C@H](N)CO AMY14650 [0,2,0,0,0,0|1,0,0]=3 333 B5R0.3 CC(CBr)CBr AMY21213 [0,2,0,0,0,0|1,0,1]=4 334 B5R0.3 CC(CI)CI AMY32062 [0,2,0,0,0,0|1,0,1]=4 335 B5R0.3 CCC(=O)CC AMY11060 [0,2,0,0,0,0|0,0,0]=2 336 B5R0.3 CCC(=O)OC AMY21940 [0,2,0,0,0,0|0,0,0]=2 337 B5R0.3 CCC(N)CC AMY4054 [0,2,0,0,0,0|1,0,1]=4 338 B5R0.3 CCN(C)CC AMY13336 [0,2,0,0,0,0|1,0,1]=4 339 B5R0.3 CCN(O)CC AMY25658 [0,2,0,0,0,0|1,0,1]=4 340 B5R0.3 CC[C@@H](N)CO AM85835 [0,2,0,0,0,0|0,0,2]=4 341 B5R0.3 CC[C@@H](O)CN AMY6653 [0,2,0,0,0,0|0,0,2]=4 342 B5R0.3 CC[C@@H](O)CO AMY40578 [0,2,0,0,0,0|0,0,2]=4 343 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,2,0,0,0,0|1,0,1]=4 344 B5R0.3 CC[C@H](C)CBr AMY28688 [0,2,0,0,0,0|1,0,1]=4 345 B5R0.3 CC[C@H](C)NN AM803011 [0,2,0,0,0,0|1,0,1]=4 346 B5R0.3 CC[C@H](C)NN AM9772 [0,2,0,0,0,0|1,0,1]=4 347 B5R0.3 CC[C@H](N)CO AM85834 [0,2,0,0,0,0|0,0,2]=4 348 B5R0.3 CC[C@H](N)CO AM85988 [0,2,0,0,0,0|0,0,2]=4 349 B5R0.3 CC[C@H](O)CO AMY40584 [0,2,0,0,0,0|0,0,2]=4 350 B5R0.3 CC\C(C)=N\O AM90385 [0,2,0,0,0,0|0,0,1]=3 351 B5R0.3 CN(C=O)C=O AMY39203 [0,2,0,0,0,0|1,0,0]=3 352 B5R0.3 CNC(=O)NN AMY42564 [0,2,0,0,0,0|1,0,0]=3 353 B5R0.3 COC(=O)C=O AMY1633 [0,2,0,0,0,0|0,0,1]=3 354 B5R0.3 COC(=O)CF AM20100155 [0,2,0,0,0,0|1,0,0]=3 355 B5R0.3 COC(=O)CN AM81785 [0,2,0,0,0,0|1,0,0]=3 356 B5R0.3 COC(=O)OC AMY37165 [0,2,0,0,0,0|1,0,0]=3 357 B5R0.3 COS(=O)OC AMY18046 [0,2,0,0,0,0|2,0,0]=4 358 B5R0.3 CO[C@@H](C)CN AMY21775 [0,2,0,0,0,0|1,0,1]=4 359 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,2,0,0,0,0|0,0,2]=4 360 B5R0.3 ClCC(Cl)CCl AMY22833 [0,2,0,0,0,0|1,0,1]=4 361 B5R0.3 NC(CO)CO AM20100310 [0,2,0,0,0,0|0,0,2]=4 362 B5R0.3 NCC(O)CN AM20100500 [0,2,0,0,0,0|1,0,1]=4 363 B5R0.3 NC[C@H](F)CO AMY34391 [0,2,0,0,0,0|0,0,2]=4 364 B5R0.3 NC[C@H](O)CCl AMY31075 [0,2,0,0,0,0|1,0,1]=4 365 B5R0.3 NC[C@H](O)CO AM20100501 [0,2,0,0,0,0|0,0,2]=4 366 B5R0.3 NC[C@H](O)CO AM20100602 [0,2,0,0,0,0|0,0,2]=4 367 B5R0.3 NC[C@H](O)CO AMY18546 [0,2,0,0,0,0|0,0,2]=4 368 B5R0.3 NNC(=O)CCl AMY39922 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.3 NNC(=O)CO AM803763 [0,2,0,0,0,0|1,0,0]=3 370 B5R0.3 NNC(=O)NN AMY40845 [0,2,0,0,0,0|2,0,0]=4 371 B5R0.3 O=C(CBr)CBr AM85919 [0,2,0,0,0,0|1,0,0]=3 372 B5R0.3 O=C(CO)CBr AMY19754 [0,2,0,0,0,0|1,0,0]=3 373 B5R0.3 O=CC(Br)C=O AM20090162 [0,2,0,0,0,0|0,0,1]=3 374 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,2,0,0,0,0|0,0,2]=4 375 B5R0.3 OC[C@H](O)CCl AM81448 [0,2,0,0,0,0|0,0,2]=4 376 B5R0.3 OC[C@H](O)CCl AM81449 [0,2,0,0,0,0|0,0,2]=4 377 B5R0.3 OC[C@H](O)CCl AMY21866 [0,2,0,0,0,0|0,0,2]=4 378 B5R0.4 C#CC(C)(C)Cl AMY19182 [0,2,0,0,0,0|1,0,1]=4 379 B5R0.4 C#CC(C)(C)F AMY30164 [0,2,0,0,0,0|1,0,1]=4 380 B5R0.4 C#CC(C)(C)N AMY19729 [0,2,0,0,0,0|1,0,1]=4 381 B5R0.4 C#CC(C)(C)O AMY3792 [0,2,0,0,0,0|1,0,1]=4 382 B5R0.4 C=CC(C)(C)O AMY3791 [0,2,0,0,0,0|1,0,0]=3 383 B5R0.4 C=CC(F)(F)Br AMY37200 [0,2,0,0,0,0|2,0,0]=4 384 B5R0.4 C=C[Si](C)(C)C AMY1250 [0,2,0,0,0,0|1,1,0]=4 385 B5R0.4 CC(C)(C)C=O AMY14201 [0,2,0,0,0,0|0,0,0]=2 386 B5R0.4 CC(C)(C)CBr AMY020 [0,2,0,0,0,0|1,0,1]=4 387 B5R0.4 CC(C)(C)CCl AMY1168 [0,2,0,0,0,0|1,0,1]=4 388 B5R0.4 CC(C)(C)CI AMY25581 [0,2,0,0,0,0|1,0,1]=4 389 B5R0.4 CC(C)(C)CN AMY5183 [0,2,0,0,0,0|1,0,1]=4 390 B5R0.4 CC(C)(C)CO AMY18878 [0,2,0,0,0,0|0,0,2]=4 391 B5R0.4 CC(C)(C)NN AMY4095 [0,2,0,0,0,0|2,0,0]=4 392 B5R0.4 CC(C)(N)C#N AM20090129 [0,2,0,0,0,0|1,0,1]=4 393 B5R0.4 CC(C)(N)CN AMY14283 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.4 CC(C)(N)CO AMY25550 [0,2,0,0,0,0|0,0,2]=4 395 B5R0.4 CC(C)(O)CCl AMY10400 [0,2,0,0,0,0|1,0,1]=4 396 B5R0.4 CC(C)(O)CN AM20090364 [0,2,0,0,0,0|1,0,1]=4 397 B5R0.4 CC(F)(F)CCl AMY6016 [0,2,0,0,0,0|1,0,1]=4 398 B5R0.4 CC(F)(F)CN AMY1251 [0,2,0,0,0,0|1,0,1]=4 399 B5R0.4 CC(F)(F)CO AMY1243 [0,2,0,0,0,0|0,0,2]=4 400 B5R0.4 CCC(C)(C)O AMY11089 [0,2,0,0,0,0|0,0,2]=4 401 B5R0.4 CCC(C)(C)[O-] AMY33539 [0,2,0,0,0,0|0,0,2]=4 402 B5R0.4 CCS(N)(=O)=O AMY33485 [0,2,0,0,0,0|1,0,0]=3 403 B5R0.4 CC[B-](F)(F)F AMY1048 [0,2,0,0,0,0|2,0,0]=4 404 B5R0.4 CNS(=O)(=O)Cl AMY20578 [0,2,0,0,0,0|2,0,0]=4 405 B5R0.4 CNS(C)(=O)=O AMY40669 [0,2,0,0,0,0|2,0,0]=4 406 B5R0.4 COC(C)(C)C AMY11032 [0,2,0,0,0,0|2,0,0]=4 407 B5R0.4 CP(C)(=O)CCl AM10868 [0,2,0,0,0,0|2,0,0]=4 408 B5R0.4 CP(C)(=O)CO AM10876 [0,2,0,0,0,0|2,0,0]=4 409 B5R0.4 CSS(C)(=O)=O AM20080910 [0,2,0,0,0,0|2,0,0]=4 410 B5R0.4 NCS(=O)(=O)O AMY8974 [0,2,0,0,0,0|2,0,0]=4 411 B5R0.4 O=CC(F)(F)F AMY7125 [0,2,0,0,0,0|1,0,0]=3 412 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,2,0,0,0,0|0,0,1]=3 413 B5R0.5 C=C(C)C(N)=O AMY13351 [0,2,0,0,0,0|0,0,1]=3 414 B5R0.5 C=C(F)C(=O)O AM84938 [0,2,0,0,0,0|0,0,2]=4 415 B5R0.5 CC(=O)C(=O)O AMY6082 [0,2,0,0,0,0|0,0,1]=3 416 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,2,0,0,0,0|0,0,1]=3 417 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,2,0,0,0,0|0,0,1]=3 418 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,2,0,0,0,0|0,0,1]=3 419 B5R0.5 CC(=O)C(C)C AMY11021 [0,2,0,0,0,0|0,0,0]=2 420 B5R0.5 CC(=O)C(F)F AMY6800 [0,2,0,0,0,0|1,0,0]=3 421 B5R0.5 CC(=O)C(O)O AMY25827 [0,2,0,0,0,0|1,0,0]=3 422 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,2,0,0,0,0|0,0,0]=2 423 B5R0.5 CC(C)B(O)O AM1192 [0,2,0,0,0,0|1,0,1]=4 424 B5R0.5 CC(C)N(C)C AMY13340 [0,2,0,0,0,0|2,0,0]=4 425 B5R0.5 CC(C)[C@@H](C)N AMY22001 [0,2,0,0,0,0|1,0,1]=4 426 B5R0.5 CC(C)[C@H](C)N AMY14243 [0,2,0,0,0,0|1,0,1]=4 427 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [0,2,0,0,0,0|1,0,0]=3 428 B5R0.5 CC(F)=C(F)F AMY37198 [0,2,0,0,0,0|1,0,1]=4 429 B5R0.5 CC(O)C(=O)[O-] AMY37027 [0,2,0,0,0,0|0,0,0]=2 430 B5R0.5 CN(C)C(=N)N AM804111 [0,2,0,0,0,0|2,0,0]=4 431 B5R0.5 C[C@H](Br)C(=O)O AM81431 [0,2,0,0,0,0|0,0,0]=2 432 B5R0.5 C[C@H](Br)C(=O)O AM81432 [0,2,0,0,0,0|0,0,0]=2 433 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [0,2,0,0,0,0|0,0,0]=2 434 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [0,2,0,0,0,0|0,0,0]=2 435 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,2,0,0,0,0|0,0,0]=2 436 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,2,0,0,0,0|0,0,0]=2 437 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,2,0,0,0,0|0,0,0]=2 438 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,2,0,0,0,0|0,0,0]=2 439 B5R0.5 C[C@H](F)C(=O)O AMY5967 [0,2,0,0,0,0|0,0,0]=2 440 B5R0.5 C[C@H](N)C(=O)O AM20090411 [0,2,0,0,0,0|0,0,0]=2 441 B5R0.5 C[C@H](N)C(=O)O AM20090517 [0,2,0,0,0,0|0,0,0]=2 442 B5R0.5 C[C@H](N)C(=O)O AM20100374 [0,2,0,0,0,0|0,0,0]=2 443 B5R0.5 C[C@H](N)C(N)=O AM20090503 [0,2,0,0,0,0|0,0,0]=2 444 B5R0.5 C[C@H](N)C(N)=O AM81484 [0,2,0,0,0,0|0,0,0]=2 445 B5R0.5 C[C@H](O)C(=N)N AM806558 [0,2,0,0,0,0|1,0,0]=3 446 B5R0.5 C[C@H](O)C(=O)O AM87208 [0,2,0,0,0,0|0,0,0]=2 447 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [0,2,0,0,0,0|0,0,0]=2 448 B5R0.5 NC(=O)C(N)=O AMY23583 [0,2,0,0,0,0|1,0,1]=4 449 B5R0.5 O=C(O)C(=O)O AMY514 [0,2,0,0,0,0|1,0,1]=4 450 B5R0.5 O=C(O)C(=O)O AMY6125 [0,2,0,0,0,0|1,0,1]=4 451 B5R0.5 O=C(O)C(F)F AM20100014 [0,2,0,0,0,0|1,0,0]=3 452 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,2,0,0,0,0|1,0,0]=3 453 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,2,0,0,0,0|1,0,0]=3 454 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,2,0,0,0,0|1,0,0]=3 455 B5R0.5 O=[S@]([O-])C(F)F AMY7114 [0,2,0,0,0,0|2,0,0]=4 456 B5R0.2 BrCCCCBr AM20080049 [0,2,0,0,0,0|1,0,1]=4 457 B5R0.2 C#CCCCC AMY1242 [0,2,0,0,0,0|1,0,1]=4 458 B5R0.2 C=CCCC=C AMY18716 [0,2,0,0,0,0|1,0,0]=3 459 B5R0.2 C=CCCC=C AMY19739 [0,2,0,0,0,0|1,0,0]=3 460 B5R0.2 C=CCCCBr AM20080066 [0,2,0,0,0,0|1,0,0]=3 461 B5R0.2 C=CCCCO AMY41353 [0,2,0,0,0,0|1,0,0]=3 462 B5R0.2 C=CCNC=O AMY24779 [0,2,0,0,0,0|0,0,1]=3 463 B5R0.2 CCC#CCO AMY1239 [0,2,0,0,0,0|0,0,2]=4 464 B5R0.2 CCCCCBr AMY9378 [0,2,0,0,0,0|1,0,1]=4 465 B5R0.2 CCCCCC AMY22305 [0,2,0,0,0,0|1,0,1]=4 466 B5R0.2 CCCCCN AMY21878 [0,2,0,0,0,0|1,0,1]=4 467 B5R0.2 CCCCCS AMY19243 [0,2,0,0,0,0|0,1,1]=4 468 B5R0.2 CCCCNN AMY202003284 [0,2,0,0,0,0|1,0,1]=4 469 B5R0.2 CCCNCC AMY13343 [0,2,0,0,0,0|1,0,1]=4 470 B5R0.2 CCO\C=C/Br AM806384 [0,2,0,0,0,0|1,0,0]=3 471 B5R0.2 CNCCCN AM20100546 [0,2,0,0,0,0|1,0,1]=4 472 B5R0.2 CNCCNC AM86300 [0,2,0,0,0,0|1,0,1]=4 473 B5R0.2 COCCC#N AMY40960 [0,2,0,0,0,0|1,0,1]=4 474 B5R0.2 COCCCBr AM20090592 [0,2,0,0,0,0|0,0,2]=4 475 B5R0.2 COCCCCl AMY25654 [0,2,0,0,0,0|0,0,2]=4 476 B5R0.2 COCCCN AMY21871 [0,2,0,0,0,0|0,0,2]=4 477 B5R0.2 COCCCN AMY38449 [0,2,0,0,0,0|0,0,2]=4 478 B5R0.2 COCCCO AM20080231 [0,2,0,0,0,0|0,0,2]=4 479 B5R0.2 COCCNN AM803665 [0,2,0,0,0,0|1,0,1]=4 480 B5R0.2 COCCNN AMY202003278 [0,2,0,0,0,0|1,0,1]=4 481 B5R0.2 COCCOC AMY25530 [0,2,0,0,0,0|0,0,2]=4 482 B5R0.2 COCCON AMY27642 [0,2,0,0,0,0|0,0,2]=4 483 B5R0.2 CSCCCCl AMY744 [0,2,0,0,0,0|0,1,1]=4 484 B5R0.2 ClCCCCI AMY2538 [0,2,0,0,0,0|1,0,1]=4 485 B5R0.2 ClCCOCCl AMY38249 [0,2,0,0,0,0|1,0,1]=4 486 B5R0.2 ClC\C=C\CCl AMY2667 [0,2,0,0,0,0|1,0,1]=4 487 B5R0.2 N#CCCC#N AMY25947 [0,2,0,0,0,0|1,0,1]=4 488 B5R0.2 N#CCCC=O AMY9205 [0,2,0,0,0,0|0,0,0]=2 489 B5R0.2 N#CCCCBr AMY10438 [0,2,0,0,0,0|1,0,1]=4 490 B5R0.2 N#CCCCCl AMY40893 [0,2,0,0,0,0|1,0,1]=4 491 B5R0.2 N#CCCNN AMY202100074 [0,2,0,0,0,0|1,0,1]=4 492 B5R0.2 NCCCCCl AMY15236 [0,2,0,0,0,0|1,0,1]=4 493 B5R0.2 NCCCCN AM20090504 [0,2,0,0,0,0|1,0,1]=4 494 B5R0.2 NCCCCO AMY17788 [0,2,0,0,0,0|0,0,2]=4 495 B5R0.2 NOC\C=C\Cl AM90386 [0,2,0,0,0,0|1,0,1]=4 496 B5R0.2 O=C=NCCCl AMY23213 [0,2,0,0,0,0|0,0,1]=3 497 B5R0.2 O=CCCC=O AMY18777 [0,2,0,0,0,0|0,0,0]=2 498 B5R0.2 OC\C=C\CCl AMY768 [0,2,0,0,0,0|0,0,2]=4 499 B5R1.2 BrC1CCC1 AM803913 [0,1,0,1,0,0|1,0,1]=4 500 B5R1.2 BrC1CNC1 AMY34832 [0,1,0,1,0,0|1,0,1]=4 501 B5R1.2 BrC1COC1 AM20020035 [0,1,0,1,0,0|0,0,2]=4 502 B5R1.2 CC1CNC1 AM20120351 [0,1,0,1,0,0|1,0,1]=4 503 B5R1.2 C[C@H]1CCN1 AM806564 [0,1,0,1,0,0|1,0,1]=4 504 B5R1.2 ClC1CCC1 AMY6175 [0,1,0,1,0,0|1,0,1]=4 505 B5R1.2 ClC1CNC1 AMY33719 [0,1,0,1,0,0|1,0,1]=4 506 B5R1.2 ClC1COC1 AMY34839 [0,1,0,1,0,0|0,0,2]=4 507 B5R1.2 FC1CNC1 AM20100512 [0,1,0,1,0,0|1,0,1]=4 508 B5R1.2 FC1CNC1 AMY12200 [0,1,0,1,0,0|1,0,1]=4 509 B5R1.2 FC1COC1 AM20020027 [0,1,0,1,0,0|0,0,2]=4 510 B5R1.2 IC1CCC1 AMY6180 [0,1,0,1,0,0|1,0,1]=4 511 B5R1.2 IC1COC1 AM20020026 [0,1,0,1,0,0|0,0,2]=4 512 B5R1.2 NC1CCC1 AMY2668 [0,1,0,1,0,0|1,0,1]=4 513 B5R1.2 NC1CCC1 AMY6177 [0,1,0,1,0,0|1,0,1]=4 514 B5R1.2 NC1CNC1 AMY6172 [0,1,0,1,0,0|1,0,1]=4 515 B5R1.2 NC1COC1 AM20020021 [0,1,0,1,0,0|0,0,2]=4 516 B5R1.2 NC1COC1 AM85383 [0,1,0,1,0,0|0,0,2]=4 517 B5R1.2 NC1CSC1 AM20120367 [0,1,0,1,0,0|0,1,1]=4 518 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,1,0,1,0,0|0,0,2]=4 519 B5R1.2 O=C1CCC1 AM20070575 [0,1,0,1,0,0|0,0,0]=2 520 B5R1.2 O=C1CCN1 AMY18291 [0,1,0,1,0,0|0,0,0]=2 521 B5R1.2 O=C1CCO1 AM20020040 [0,1,0,1,0,0|0,0,0]=2 522 B5R1.2 O=C1CNC1 AM20090048 [0,1,0,1,0,0|0,0,0]=2 523 B5R1.2 O=C1CNC1 AM20100329 [0,1,0,1,0,0|0,0,0]=2 524 B5R1.2 O=C1COC1 AM20020042 [0,1,0,1,0,0|0,0,0]=2 525 B5R1.2 O=C1CSC1 AM20090216 [0,1,0,1,0,0|0,0,0]=2 526 B5R1.2 OC1CCC1 AM803645 [0,1,0,1,0,0|0,0,2]=4 527 B5R1.2 OC1CNC1 AM20100158 [0,1,0,1,0,0|0,0,2]=4 528 B5R1.2 OC1COC1 AM20020046 [0,1,0,1,0,0|0,0,2]=4 529 B5R1.2 OC1CSC1 AMY35636 [0,1,0,1,0,0|0,0,2]=4 530 B5R1.2 SC1COC1 AMY33758 [0,1,0,1,0,0|0,0,2]=4 531 B5R1.3 BrCC1CC1 AM90231 [0,1,0,1,0,0|1,0,1]=4 532 B5R1.3 BrC[C@H]1CO1 AMY31919 [0,1,0,1,0,0|0,0,2]=4 533 B5R1.3 C#CC1CC1 AM20100625 [0,1,0,1,0,0|1,0,1]=4 534 B5R1.3 C=C[C@@H]1CO1 AMY40815 [0,1,0,1,0,0|1,0,0]=3 535 B5R1.3 CNC1CC1 AM20100262 [0,1,0,1,0,0|1,0,1]=4 536 B5R1.3 CNC1CC1 AM20100622 [0,1,0,1,0,0|1,0,1]=4 537 B5R1.3 ClCC1CC1 AM20100440 [0,1,0,1,0,0|1,0,1]=4 538 B5R1.3 ClC[C@H]1CO1 AM20090809 [0,1,0,1,0,0|0,0,2]=4 539 B5R1.3 ClC[C@H]1CO1 AM20090812 [0,1,0,1,0,0|0,0,2]=4 540 B5R1.3 ClC[C@H]1CO1 AMY40813 [0,1,0,1,0,0|0,0,2]=4 541 B5R1.3 ICC1CC1 AMY6123 [0,1,0,1,0,0|1,0,1]=4 542 B5R1.3 IC[C@H]1CO1 AMY5696 [0,1,0,1,0,0|0,0,2]=4 543 B5R1.3 N#CC1CC1 AMY3403 [0,1,0,1,0,0|1,0,1]=4 544 B5R1.3 NCC1CC1 AM61420 [0,1,0,1,0,0|1,0,1]=4 545 B5R1.3 NNC1CC1 AM10015 [0,1,0,1,0,0|1,0,1]=4 546 B5R1.3 O=CC1CC1 AM90182 [0,1,0,1,0,0|0,0,0]=2 547 B5R1.3 OCC1CC1 AM20090298 [0,1,0,1,0,0|0,0,2]=4 548 B5R1.3 OC[C@H]1CO1 AM20100365 [0,1,0,1,0,0|0,0,2]=4 549 B5R1.3 OC[C@H]1CO1 AM20100474 [0,1,0,1,0,0|0,0,2]=4 550 B5R1.3 OC[C@H]1CO1 AM81447 [0,1,0,1,0,0|0,0,2]=4 551 B5R1.4 CC1CC1N AM806543 [0,1,0,1,0,0|1,0,1]=4 552 B5R1.4 CC1CC1N AM806563 [0,1,0,1,0,0|1,0,1]=4 553 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [0,1,0,1,0,0|1,0,1]=4 554 B5R1.4 FC1CC1Br AMY5835 [0,1,0,1,0,0|1,0,1]=4 555 B5R1.4 N[C@@H]1CC1F AM84389 [0,1,0,1,0,0|1,0,1]=4 556 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [0,1,0,1,0,0|1,0,1]=4 557 B5R1.5 CC1(N)CC1 AM803556 [0,1,0,1,0,0|1,0,1]=4 558 B5R1.5 CC1(O)CC1 AMY38664 [0,1,0,1,0,0|0,0,2]=4 559 B5R1.1 C1=CCNC1 AM20100570 [0,1,0,1,0,0|1,0,0]=3 560 B5R1.1 C1=CCNC1 AM9928 [0,1,0,1,0,0|1,0,0]=3 561 B5R1.1 C1=CCOC1 AM81814 [0,1,0,1,0,0|1,0,0]=3 562 B5R1.1 C1=CNCC1 AMY6075 [0,1,0,1,0,0|1,0,0]=3 563 B5R1.1 C1CCNC1 AMY10044 [0,1,0,1,0,0|1,0,1]=4 564 B5R1.1 C1CCOC1 AMY11079 [0,1,0,1,0,0|0,0,2]=4 565 B5R1.1 C1CCOC1 AMY14809 [0,1,0,1,0,0|0,0,2]=4 566 B5R1.1 C1CCOC1 AMY14877 [0,1,0,1,0,0|0,0,2]=4 567 B5R1.1 C1CNNC1 AMY28694 [0,1,0,1,0,0|1,0,1]=4 568 B5R1.1 C1CNOC1 AM803837 [0,1,0,1,0,0|0,0,2]=4 569 B5R1.1 C1COCN1 AMY42397 [0,1,0,1,0,0|0,0,2]=4 570 B5R1.1 C1CSCN1 AMY40189 [0,1,0,1,0,0|0,1,1]=4