0 B3R0.1 BrCCBr AMY25519 [0,0,0,0,0,0|0,2,0]=2 1 B3R0.1 C#CCBr AM85466 [0,0,0,0,0,0|1,1,1]=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|2,0,1]=3 5 B3R0.1 CC#C[Mg+] AMY1254 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 CCCO AMY11110 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.1 CCNN AM10026 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.1 CCNN AMY202003286 [0,0,0,0,0,0|3,0,0]=3 9 B3R0.1 CCON AM90373 [0,0,0,0,0,0|3,0,0]=3 10 B3R0.1 CN=C=S AMY11073 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.1 CNOC AM20100609 [0,0,0,0,0,0|4,0,0]=4 12 B3R0.1 CSSC AMY39506 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.1 C[Se][Se]C AMY31938 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.1 C\C=C\Br AMY19968 [0,0,0,0,0,0|1,1,2]=4 15 B3R0.1 ClCCBr AMY25520 [0,0,0,0,0,0|0,1,0]=1 16 B3R0.1 ClCCCl AMY33455 [0,0,0,0,0,0|0,0,0]=0 17 B3R0.1 ClSSCl AMY33535 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.1 FCCBr AMY39418 [0,0,0,0,0,0|0,2,0]=2 19 B3R0.1 FCCI AM20100746 [0,0,0,0,0,0|0,2,0]=2 20 B3R0.1 N#CCBr AMY21970 [0,0,0,0,0,0|1,1,1]=3 21 B3R0.1 N#CCF AMY33527 [0,0,0,0,0,0|1,1,1]=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|1,1,0]=2 24 B3R0.1 NCCCl AMY3602 [0,0,0,0,0,0|1,0,0]=1 25 B3R0.1 NCCF AM20100176 [0,0,0,0,0,0|1,1,0]=2 26 B3R0.1 NCCS AMY202100105 [0,0,0,0,0,0|2,0,0]=2 27 B3R0.1 NNC=O AM9981 [0,0,0,0,0,0|3,0,1]=4 28 B3R0.1 OCCBr AMY39504 [0,0,0,0,0,0|1,1,0]=2 29 B3R0.1 OCCF AMY25659 [0,0,0,0,0,0|1,1,0]=2 30 B3R0.1 OCCO AMY22336 [0,0,0,0,0,0|2,0,0]=2 31 B2R0.1 BrCBr AMY11088 [1,0,0,0,0,0|0,2,0]=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|1,0,2]=4 35 B2R0.1 C=C[Mg+] AMY14834 [1,0,0,0,0,0|1,0,2]=4 36 B2R0.1 C=C[Mg+] AMY19835 [1,0,0,0,0,0|1,0,2]=4 37 B2R0.1 CCC AMY22280 [1,0,0,0,0,0|1,0,0]=2 38 B2R0.1 CCI AMY39500 [1,0,0,0,0,0|0,1,0]=2 39 B2R0.1 CC[O-] AMY14850 [1,0,0,0,0,0|1,0,0]=2 40 B2R0.1 CNC AM90364 [1,0,0,0,0,0|2,0,0]=3 41 B2R0.1 CNC AMY14900 [1,0,0,0,0,0|2,0,0]=3 42 B2R0.1 CNO AMY23438 [1,0,0,0,0,0|2,0,0]=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|2,0,0]=3 45 B2R0.1 CSC AMY14803 [1,0,0,0,0,0|2,0,0]=3 46 B2R0.1 ClCBr AMY11119 [1,0,0,0,0,0|0,1,0]=2 47 B2R0.1 ClCI AMY2690 [1,0,0,0,0,0|0,1,0]=2 48 B2R0.1 Cl[Pd]Cl AMY39310 [1,0,0,0,0,0|1,0,0]=2 49 B2R0.1 FCBr AMY6811 [1,0,0,0,0,0|0,2,0]=3 50 B2R0.1 FCF AMY37122 [1,0,0,0,0,0|0,2,0]=3 51 B2R0.1 ICI AMY25773 [1,0,0,0,0,0|0,2,0]=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|2,0,1]=4 54 B2R0.1 NC=O AMY3583 [1,0,0,0,0,0|2,0,1]=4 55 B2R0.1 NC=S AMY33487 [1,0,0,0,0,0|2,0,1]=4 56 B2R0.1 O=CO AMY11055 [1,0,0,0,0,0|2,0,1]=4 57 B2R0.1 O=P[O-] AMY21929 [1,0,0,0,0,0|3,0,0]=4 58 B2R0.1 O=[AlH3][O-] AMY534 [1,0,0,0,0,0|3,0,0]=4 59 B2R0.1 O=[Se]=O AMY10040 [1,0,0,0,0,0|3,0,0]=4 60 B2R0.1 O=[Si]=O AMY37125 [1,0,0,0,0,0|2,1,0]=4 61 B2R0.1 [BH3-]C#N AMY31069 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C#C[C@@H](C)O AMY24232 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.1 C#C[C@H](C)Br AMY12092 [0,1,0,0,0,0|1,1,1]=4 64 B4R0.1 C#C[C@H](C)N AM806670 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.1 C#C[C@H](C)O AMY34392 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.1 C=C(C)CBr AM85592 [0,1,0,0,0,0|1,1,1]=4 67 B4R0.1 C=C(C)CN AMY13356 [0,1,0,0,0,0|2,0,1]=4 68 B4R0.1 C=C(Cl)C#N AMY25815 [0,1,0,0,0,0|1,0,2]=4 69 B4R0.1 C=C(Cl)CCl AMY4111 [0,1,0,0,0,0|0,0,1]=2 70 B4R0.1 C=CC(=O)Cl AMY18873 [0,1,0,0,0,0|1,0,2]=4 71 B4R0.1 C=C[C@H](C)Cl AMY617 [0,1,0,0,0,0|1,0,1]=3 72 B4R0.1 C=C[C@H](C)O AMY1257 [0,1,0,0,0,0|2,0,1]=4 73 B4R0.1 CC(=O)CBr AM85840 [0,1,0,0,0,0|1,1,1]=4 74 B4R0.1 CC(=O)CN AMY15017 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.1 CC(=O)CN AMY25062 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.1 CC(C)CBr AMY25783 [0,1,0,0,0,0|1,1,0]=3 77 B4R0.1 CC(C)NN AM20090002 [0,1,0,0,0,0|3,0,0]=4 78 B4R0.1 CC(C)NN AMY202003297 [0,1,0,0,0,0|3,0,0]=4 79 B4R0.1 CC(C)ON AM90376 [0,1,0,0,0,0|3,0,0]=4 80 B4R0.1 CCB(O)O AM80871 [0,1,0,0,0,0|3,0,0]=4 81 B4R0.1 CCC(=N)N AM803843 [0,1,0,0,0,0|2,0,1]=4 82 B4R0.1 CCC(=O)Cl AMY4112 [0,1,0,0,0,0|1,0,1]=3 83 B4R0.1 CCC(=O)O AMY4114 [0,1,0,0,0,0|2,0,1]=4 84 B4R0.1 CCC(=O)[O-] AMY22300 [0,1,0,0,0,0|2,0,1]=4 85 B4R0.1 CCC(=O)[O-] AMY37013 [0,1,0,0,0,0|2,0,1]=4 86 B4R0.1 CCC(C)[O-] AMY22246 [0,1,0,0,0,0|2,0,0]=3 87 B4R0.1 CCC(N)=S AMY39288 [0,1,0,0,0,0|2,0,1]=4 88 B4R0.1 CCN(C)C AMY13339 [0,1,0,0,0,0|3,0,0]=4 89 B4R0.1 CC[C@H](C)O AMY11001 [0,1,0,0,0,0|2,0,0]=3 90 B4R0.1 CC[S@](=O)[O-] AMY15674 [0,1,0,0,0,0|3,0,0]=4 91 B4R0.1 CN(C)CCl AMY39211 [0,1,0,0,0,0|2,0,0]=3 92 B4R0.1 CNC(C)C AMY13353 [0,1,0,0,0,0|3,0,0]=4 93 B4R0.1 COC(Cl)Cl AMY31937 [0,1,0,0,0,0|2,0,0]=3 94 B4R0.1 C[C@@H](Cl)CO AMY21413 [0,1,0,0,0,0|1,0,0]=2 95 B4R0.1 C[C@@H](N)CN AMY3648 [0,1,0,0,0,0|2,0,0]=3 96 B4R0.1 C[C@H](Br)C#N AMY39192 [0,1,0,0,0,0|1,1,1]=4 97 B4R0.1 C[C@H](Cl)CO AMY21357 [0,1,0,0,0,0|1,0,0]=2 98 B4R0.1 C[C@H](N)C#N AM9634 [0,1,0,0,0,0|2,0,1]=4 99 B4R0.1 C[C@H](N)CN AMY3672 [0,1,0,0,0,0|2,0,0]=3 100 B4R0.1 C[C@H](N)CO AM20090557 [0,1,0,0,0,0|2,0,0]=3 101 B4R0.1 C[C@H](N)CO AM20100507 [0,1,0,0,0,0|2,0,0]=3 102 B4R0.1 C[C@H](O)CN AM20090353 [0,1,0,0,0,0|2,0,0]=3 103 B4R0.1 C[C@H](O)CN AM20100779 [0,1,0,0,0,0|2,0,0]=3 104 B4R0.1 C[C@H](O)CN AM81450 [0,1,0,0,0,0|2,0,0]=3 105 B4R0.1 FC(F)CCl AMY6873 [0,1,0,0,0,0|0,1,0]=2 106 B4R0.1 FC(F)CI AMY20040 [0,1,0,0,0,0|0,2,0]=3 107 B4R0.1 F[C@@H](Br)CBr AMY6863 [0,1,0,0,0,0|0,2,0]=3 108 B4R0.1 N#CC(Cl)Cl AMY3929 [0,1,0,0,0,0|1,0,1]=3 109 B4R0.1 NC(=O)CBr AM85872 [0,1,0,0,0,0|1,1,1]=4 110 B4R0.1 NC(=O)CCl AMY4113 [0,1,0,0,0,0|1,0,1]=3 111 B4R0.1 NCC(=O)O AM81781 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.1 NCC(=O)[O-] AMY37022 [0,1,0,0,0,0|2,0,1]=4 113 B4R0.1 NCC(F)F AMY7132 [0,1,0,0,0,0|1,1,0]=3 114 B4R0.1 NCC(N)=O AM20080473 [0,1,0,0,0,0|2,0,1]=4 115 B4R0.1 NCC(N)=O AMY20517 [0,1,0,0,0,0|2,0,1]=4 116 B4R0.1 NCC(N)=O AMY22705 [0,1,0,0,0,0|2,0,1]=4 117 B4R0.1 O=C(Br)CBr AMY21867 [0,1,0,0,0,0|0,2,1]=4 118 B4R0.1 O=C(Cl)CBr AMY13645 [0,1,0,0,0,0|0,1,1]=3 119 B4R0.1 O=C(Cl)CCl AMY40193 [0,1,0,0,0,0|0,0,1]=2 120 B4R0.1 O=C([O-])CS AMY25320 [0,1,0,0,0,0|2,0,1]=4 121 B4R0.1 O=[N+]([O-])CBr AMY33516 [0,1,0,0,0,0|2,1,0]=4 122 B4R0.1 OCC(F)F AMY3957 [0,1,0,0,0,0|1,1,0]=3 123 B4R0.1 [Li]CC(C)C AMY14929 [0,1,0,0,0,0|2,0,0]=3 124 B4R0.1 [Li][C@@H](C)CC AMY14890 [0,1,0,0,0,0|2,0,0]=3 125 B4R0.2 BrCCCBr AMY25527 [0,1,0,0,0,0|0,2,0]=3 126 B4R0.2 C#CCCBr AMY1272 [0,1,0,0,0,0|1,1,0]=3 127 B4R0.2 C#CCOC AMY1246 [0,1,0,0,0,0|2,0,1]=4 128 B4R0.2 C#COCC AMY33551 [0,1,0,0,0,0|2,0,1]=4 129 B4R0.2 C=CCCCl AMY11185 [0,1,0,0,0,0|1,0,0]=2 130 B4R0.2 C=CCCO AMY14291 [0,1,0,0,0,0|2,0,0]=3 131 B4R0.2 C=CCNC AMY13350 [0,1,0,0,0,0|2,0,1]=4 132 B4R0.2 C=CCNN AM806419 [0,1,0,0,0,0|2,0,1]=4 133 B4R0.2 C=CCOC AM20100534 [0,1,0,0,0,0|2,0,1]=4 134 B4R0.2 C=CCON AM90375 [0,1,0,0,0,0|2,0,1]=4 135 B4R0.2 C=NCC#N AMY24166 [0,1,0,0,0,0|2,0,1]=4 136 B4R0.2 CC#CCBr AMY1227 [0,1,0,0,0,0|1,1,1]=4 137 B4R0.2 CC#CCO AMY19259 [0,1,0,0,0,0|2,0,1]=4 138 B4R0.2 CCCCN AMY21914 [0,1,0,0,0,0|2,0,0]=3 139 B4R0.2 CCCNN AM9771 [0,1,0,0,0,0|2,0,0]=3 140 B4R0.2 CCNCC AMY25752 [0,1,0,0,0,0|2,0,0]=3 141 B4R0.2 CCPCC AMY11725 [0,1,0,0,0,0|2,0,0]=3 142 B4R0.2 CC\C=C\Br AMY796 [0,1,0,0,0,0|1,1,1]=4 143 B4R0.2 CNCC#N AM20090317 [0,1,0,0,0,0|2,0,1]=4 144 B4R0.2 CNCCCl AM803928 [0,1,0,0,0,0|1,0,0]=2 145 B4R0.2 CNCCF AMY202003232 [0,1,0,0,0,0|1,1,0]=3 146 B4R0.2 CNCCO AMY32697 [0,1,0,0,0,0|2,0,0]=3 147 B4R0.2 COCCCl AMY25739 [0,1,0,0,0,0|1,0,0]=2 148 B4R0.2 COCCN AM808206 [0,1,0,0,0,0|2,0,0]=3 149 B4R0.2 CSCCCl AMY15533 [0,1,0,0,0,0|1,0,0]=2 150 B4R0.2 CSCCN AMY33509 [0,1,0,0,0,0|2,0,0]=3 151 B4R0.2 CSCCO AMY19250 [0,1,0,0,0,0|2,0,0]=3 152 B4R0.2 C\C=C\CCl AMY618 [0,1,0,0,0,0|1,0,1]=3 153 B4R0.2 C\C=C\CO AMY21936 [0,1,0,0,0,0|2,0,1]=4 154 B4R0.2 ClCCCBr AMY40180 [0,1,0,0,0,0|0,1,0]=2 155 B4R0.2 ClCCCCl AMY22013 [0,1,0,0,0,0|0,0,0]=1 156 B4R0.2 ClCCCI AMY25762 [0,1,0,0,0,0|0,1,0]=2 157 B4R0.2 FCCCBr AMY28674 [0,1,0,0,0,0|0,2,0]=3 158 B4R0.2 N#CCC#N AMY40191 [0,1,0,0,0,0|2,0,1]=4 159 B4R0.2 N#CCCCl AMY21819 [0,1,0,0,0,0|1,0,0]=2 160 B4R0.2 NCCCBr AM20100225 [0,1,0,0,0,0|1,1,0]=3 161 B4R0.2 NCCCN AMY21886 [0,1,0,0,0,0|2,0,0]=3 162 B4R0.2 NCCON AMY10143 [0,1,0,0,0,0|2,0,0]=3 163 B4R0.2 NNCCO AM20080045 [0,1,0,0,0,0|2,0,0]=3 164 B4R0.2 OCCCBr AM20100533 [0,1,0,0,0,0|1,1,0]=3 165 B4R0.2 OCCCCl AMY9478 [0,1,0,0,0,0|1,0,0]=2 166 B4R0.2 OCCCF AM1014 [0,1,0,0,0,0|1,1,0]=3 167 B4R0.2 SCCCBr AM806637 [0,1,0,0,0,0|1,1,0]=3 168 B4R0.2 [Li]CCCC AMY14790 [0,1,0,0,0,0|2,0,0]=3 169 B4R1.1 C1CNC1 AM20080889 [0,0,0,1,0,0|2,0,0]=3 170 B4R1.1 C1CNC1 AM20090583 [0,0,0,1,0,0|2,0,0]=3 171 B4R1.1 C1COC1 AM20020039 [0,0,0,1,0,0|2,0,0]=3 172 B4R1.2 BrC1CC1 AM90210 [0,0,0,1,0,0|1,1,0]=3 173 B4R1.2 C[C@H]1CO1 AM81470 [0,0,0,1,0,0|2,0,0]=3 174 B4R1.2 C[C@H]1CO1 AM81471 [0,0,0,1,0,0|2,0,0]=3 175 B4R1.2 NC1CC1 AM804333 [0,0,0,1,0,0|2,0,0]=3 176 B4R1.2 OC1CC1 AMY35209 [0,0,0,1,0,0|2,0,0]=3 177 B1R0.1 C=O AMY6741 [2,0,0,0,0,0|1,0,1]=4 178 B1R0.1 CN AMY40155 [2,0,0,0,0,0|1,0,0]=3 179 B1R0.1 C[Mg+] AMY39537 [2,0,0,0,0,0|1,0,0]=3 180 B1R0.1 C[Mg+] AMY862 [2,0,0,0,0,0|1,0,0]=3 181 B1R0.1 C[O-] AMY14791 [2,0,0,0,0,0|1,0,0]=3 182 B1R0.1 ClI AMY39425 [2,0,0,0,0,0|0,1,0]=3 183 B1R0.1 II AMY39508 [2,0,0,0,0,0|0,2,0]=4 184 B1R0.1 NCl AMY37006 [2,0,0,0,0,0|1,0,0]=3 185 B1R0.1 NN AMY8940 [2,0,0,0,0,0|2,0,0]=4 186 B1R0.1 NO AMY3592 [2,0,0,0,0,0|2,0,0]=4 187 B1R0.1 [C-]#[O+] AMY22309 [2,0,0,0,0,0|1,0,1]=4 188 B3R0.2 BrC(Br)Br AMY21869 [1,1,0,0,0,0|0,2,0]=4 189 B3R0.2 C=C(C)Br AMY955 [1,1,0,0,0,0|0,1,1]=4 190 B3R0.2 C=C(C)[Mg+] AMY1042 [1,1,0,0,0,0|1,0,1]=4 191 B3R0.2 C=C(F)Cl AMY6847 [1,1,0,0,0,0|0,0,2]=4 192 B3R0.2 CC(=O)Br AMY21856 [1,1,0,0,0,0|0,1,1]=4 193 B3R0.2 CC(=O)O AMY21906 [1,1,0,0,0,0|1,0,1]=4 194 B3R0.2 CC(=O)O AMY41276 [1,1,0,0,0,0|1,0,1]=4 195 B3R0.2 CC(=O)[O-] AMY11747 [1,1,0,0,0,0|1,0,1]=4 196 B3R0.2 CC(=O)[O-] AMY1789 [1,1,0,0,0,0|1,0,1]=4 197 B3R0.2 CC(=O)[O-] AMY22485 [1,1,0,0,0,0|1,0,1]=4 198 B3R0.2 CC(=O)[O-] AMY22494 [1,1,0,0,0,0|1,0,1]=4 199 B3R0.2 CC(=O)[O-] AMY23396 [1,1,0,0,0,0|1,0,1]=4 200 B3R0.2 CC(=O)[O-] AMY23411 [1,1,0,0,0,0|1,0,1]=4 201 B3R0.2 CC(=O)[O-] AMY37172 [1,1,0,0,0,0|1,0,1]=4 202 B3R0.2 CC(=O)[O-] AMY9236 [1,1,0,0,0,0|1,0,1]=4 203 B3R0.2 CC(C)Br AMY37129 [1,1,0,0,0,0|0,1,0]=3 204 B3R0.2 CC(C)O AMY11029 [1,1,0,0,0,0|1,0,0]=3 205 B3R0.2 CC(C)[Mg+] AMY40195 [1,1,0,0,0,0|1,0,0]=3 206 B3R0.2 CC(C)[O-] AMY38606 [1,1,0,0,0,0|1,0,0]=3 207 B3R0.2 CC(C)[O-] AMY40472 [1,1,0,0,0,0|1,0,0]=3 208 B3R0.2 CP(C)C AMY19776 [1,1,0,0,0,0|2,0,0]=4 209 B3R0.2 CS(C)=O AMY14894 [1,1,0,0,0,0|2,0,0]=4 210 B3R0.2 C[PH](C)=O AM90266 [1,1,0,0,0,0|2,0,0]=4 211 B3R0.2 C[S+](C)C AMY12539 [1,1,0,0,0,0|2,0,0]=4 212 B3R0.2 C[S+](C)C AMY9344 [1,1,0,0,0,0|2,0,0]=4 213 B3R0.2 C[SiH](C)C AMY21899 [1,1,0,0,0,0|1,1,0]=4 214 B3R0.2 FC(Br)Br AMY6818 [1,1,0,0,0,0|0,2,0]=4 215 B5R0.1 C=C(C)CCBr AMY7022 [0,2,0,0,0,0|1,1,0]=4 216 B5R0.1 C=CC[C@H](C)N AM9152 [0,2,0,0,0,0|2,0,0]=4 217 B5R0.1 C=CC[C@H](C)O AM804193 [0,2,0,0,0,0|2,0,0]=4 218 B5R0.1 CC(=O)CCO AMY31061 [0,2,0,0,0,0|2,0,0]=4 219 B5R0.1 CC(=O)OCCl AMY28690 [0,2,0,0,0,0|1,0,1]=4 220 B5R0.1 CC(C)CNN AM806328 [0,2,0,0,0,0|2,0,0]=4 221 B5R0.1 CC(C)CNN AM9787 [0,2,0,0,0,0|2,0,0]=4 222 B5R0.1 CC(C)CON AMY31434 [0,2,0,0,0,0|2,0,0]=4 223 B5R0.1 CC(C)OCCl AMY23885 [0,2,0,0,0,0|1,0,0]=3 224 B5R0.1 CCCB(O)O AMY987 [0,2,0,0,0,0|2,0,0]=4 225 B5R0.1 CCCC(=N)N AM802888 [0,2,0,0,0,0|2,0,0]=4 226 B5R0.1 CCCC(=N)N AMY2389 [0,2,0,0,0,0|2,0,0]=4 227 B5R0.1 CCCC(C)=O AMY25524 [0,2,0,0,0,0|2,0,0]=4 228 B5R0.1 CCC[C@H](C)N AMY12548 [0,2,0,0,0,0|2,0,0]=4 229 B5R0.1 CCNC(C)C AMY13342 [0,2,0,0,0,0|2,0,0]=4 230 B5R0.1 CN(C)CCBr AM84884 [0,2,0,0,0,0|1,1,0]=4 231 B5R0.1 CN(C)CCCl AM20080022 [0,2,0,0,0,0|1,0,0]=3 232 B5R0.1 CN(C)CCCl AM20100171 [0,2,0,0,0,0|1,0,0]=3 233 B5R0.1 CN(C)CCN AM20080032 [0,2,0,0,0,0|2,0,0]=4 234 B5R0.1 COCC(=O)Cl AMY40728 [0,2,0,0,0,0|1,0,1]=4 235 B5R0.1 COC[C@@H](C)N AMY19545 [0,2,0,0,0,0|2,0,0]=4 236 B5R0.1 COC[C@H](C)O AM20100219 [0,2,0,0,0,0|2,0,0]=4 237 B5R0.1 C[C@@H](O)CCO AMY25740 [0,2,0,0,0,0|2,0,0]=4 238 B5R0.1 C[C@H](N)CCO AM84886 [0,2,0,0,0,0|2,0,0]=4 239 B5R0.1 C[C@H](N)CCO AM9719 [0,2,0,0,0,0|2,0,0]=4 240 B5R0.1 C[C@H](N)CCO AMY409 [0,2,0,0,0,0|2,0,0]=4 241 B5R0.1 C[C@H](O)CNN AM803409 [0,2,0,0,0,0|2,0,0]=4 242 B5R0.1 NCCC(=O)O AM20080020 [0,2,0,0,0,0|2,0,0]=4 243 B5R0.1 NCCC(=O)O AMY22128 [0,2,0,0,0,0|2,0,0]=4 244 B5R0.1 NCCC(N)=O AM20100576 [0,2,0,0,0,0|2,0,0]=4 245 B5R0.1 NCCC(N)=O AMY6958 [0,2,0,0,0,0|2,0,0]=4 246 B5R0.1 O=C(Cl)CCBr AM90184 [0,2,0,0,0,0|0,1,0]=3 247 B5R0.1 O=C(O)CCBr AM20100434 [0,2,0,0,0,0|1,1,0]=4 248 B5R0.1 O=C(O)CCF AM803932 [0,2,0,0,0,0|1,1,0]=4 249 B5R0.1 O=C(O)CCO AM85796 [0,2,0,0,0,0|2,0,0]=4 250 B5R0.1 O=C(O)CCS AMY27767 [0,2,0,0,0,0|2,0,0]=4 251 B5R0.3 C=C(CCl)CCl AM80980 [0,2,0,0,0,0|0,0,0]=2 252 B5R0.3 C=C(CO)CO AM20090550 [0,2,0,0,0,0|2,0,0]=4 253 B5R0.3 C=C[C@@H](O)CC AMY851 [0,2,0,0,0,0|2,0,0]=4 254 B5R0.3 C=C[C@H](N)CO AMY14650 [0,2,0,0,0,0|2,0,0]=4 255 B5R0.3 CC(CBr)CBr AMY21213 [0,2,0,0,0,0|0,2,0]=4 256 B5R0.3 CC(CI)CI AMY32062 [0,2,0,0,0,0|0,2,0]=4 257 B5R0.3 CCC(=O)CC AMY11060 [0,2,0,0,0,0|2,0,0]=4 258 B5R0.3 CCC(N)CC AMY4054 [0,2,0,0,0,0|2,0,0]=4 259 B5R0.3 CCN(C)CC AMY13336 [0,2,0,0,0,0|2,0,0]=4 260 B5R0.3 CCN(O)CC AMY25658 [0,2,0,0,0,0|2,0,0]=4 261 B5R0.3 CC[C@@H](N)CO AM85835 [0,2,0,0,0,0|2,0,0]=4 262 B5R0.3 CC[C@@H](O)CN AMY6653 [0,2,0,0,0,0|2,0,0]=4 263 B5R0.3 CC[C@@H](O)CO AMY40578 [0,2,0,0,0,0|2,0,0]=4 264 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,2,0,0,0,0|0,2,0]=4 265 B5R0.3 CC[C@H](C)CBr AMY28688 [0,2,0,0,0,0|1,1,0]=4 266 B5R0.3 CC[C@H](C)NN AM803011 [0,2,0,0,0,0|2,0,0]=4 267 B5R0.3 CC[C@H](C)NN AM9772 [0,2,0,0,0,0|2,0,0]=4 268 B5R0.3 CC[C@H](N)CO AM85834 [0,2,0,0,0,0|2,0,0]=4 269 B5R0.3 CC[C@H](N)CO AM85988 [0,2,0,0,0,0|2,0,0]=4 270 B5R0.3 CC[C@H](O)CO AMY40584 [0,2,0,0,0,0|2,0,0]=4 271 B5R0.3 CO[C@@H](C)CN AMY21775 [0,2,0,0,0,0|2,0,0]=4 272 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,2,0,0,0,0|1,1,0]=4 273 B5R0.3 ClCC(Cl)CCl AMY22833 [0,2,0,0,0,0|0,0,0]=2 274 B5R0.3 NC(CO)CO AM20100310 [0,2,0,0,0,0|2,0,0]=4 275 B5R0.3 NCC(O)CN AM20100500 [0,2,0,0,0,0|2,0,0]=4 276 B5R0.3 NC[C@H](F)CO AMY34391 [0,2,0,0,0,0|1,1,0]=4 277 B5R0.3 NC[C@H](O)CCl AMY31075 [0,2,0,0,0,0|1,0,0]=3 278 B5R0.3 NC[C@H](O)CO AM20100501 [0,2,0,0,0,0|2,0,0]=4 279 B5R0.3 NC[C@H](O)CO AM20100602 [0,2,0,0,0,0|2,0,0]=4 280 B5R0.3 NC[C@H](O)CO AMY18546 [0,2,0,0,0,0|2,0,0]=4 281 B5R0.3 NNC(=O)CCl AMY39922 [0,2,0,0,0,0|1,0,1]=4 282 B5R0.3 O=C(CBr)CBr AM85919 [0,2,0,0,0,0|0,2,0]=4 283 B5R0.3 O=C(CO)CBr AMY19754 [0,2,0,0,0,0|1,1,0]=4 284 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,2,0,0,0,0|0,2,0]=4 285 B5R0.3 OC[C@H](O)CCl AM81448 [0,2,0,0,0,0|1,0,0]=3 286 B5R0.3 OC[C@H](O)CCl AM81449 [0,2,0,0,0,0|1,0,0]=3 287 B5R0.3 OC[C@H](O)CCl AMY21866 [0,2,0,0,0,0|1,0,0]=3 288 B5R0.4 C#CC(C)(C)Cl AMY19182 [0,2,0,0,0,0|1,0,1]=4 289 B5R0.4 CC(C)(C)CBr AMY020 [0,2,0,0,0,0|1,1,0]=4 290 B5R0.4 CC(C)(C)CCl AMY1168 [0,2,0,0,0,0|1,0,0]=3 291 B5R0.4 CC(C)(C)CI AMY25581 [0,2,0,0,0,0|1,1,0]=4 292 B5R0.4 CC(C)(C)CN AMY5183 [0,2,0,0,0,0|2,0,0]=4 293 B5R0.4 CC(C)(C)CO AMY18878 [0,2,0,0,0,0|2,0,0]=4 294 B5R0.4 CC(C)(N)CN AMY14283 [0,2,0,0,0,0|2,0,0]=4 295 B5R0.4 CC(C)(N)CO AMY25550 [0,2,0,0,0,0|2,0,0]=4 296 B5R0.4 CC(C)(O)CCl AMY10400 [0,2,0,0,0,0|1,0,0]=3 297 B5R0.4 CC(C)(O)CN AM20090364 [0,2,0,0,0,0|2,0,0]=4 298 B5R0.4 CC(F)(F)CCl AMY6016 [0,2,0,0,0,0|0,1,0]=3 299 B5R0.4 CC(F)(F)CN AMY1251 [0,2,0,0,0,0|1,1,0]=4 300 B5R0.4 CC(F)(F)CO AMY1243 [0,2,0,0,0,0|1,1,0]=4 301 B5R0.4 CCC(C)(C)O AMY11089 [0,2,0,0,0,0|2,0,0]=4 302 B5R0.4 CCC(C)(C)[O-] AMY33539 [0,2,0,0,0,0|2,0,0]=4 303 B5R0.4 CP(C)(=O)CCl AM10868 [0,2,0,0,0,0|2,0,0]=4 304 B5R0.4 C[Si](C)(C)CCl AMY39317 [0,2,0,0,0,0|1,1,0]=4 305 B5R0.4 FC(F)(Br)CBr AMY6862 [0,2,0,0,0,0|0,2,0]=4 306 B5R0.4 FC(F)(F)CI AMY25651 [0,2,0,0,0,0|0,2,0]=4 307 B5R0.4 FCC(F)(F)F AMY25787 [0,2,0,0,0,0|0,2,0]=4 308 B5R0.4 NCC(F)(F)F AMY3624 [0,2,0,0,0,0|1,1,0]=4 309 B5R0.4 NCC(F)(F)F AMY6806 [0,2,0,0,0,0|1,1,0]=4 310 B5R0.4 OCC(Cl)(Cl)Cl AMY25535 [0,2,0,0,0,0|1,0,0]=3 311 B5R0.4 OCC(F)(F)F AM20100728 [0,2,0,0,0,0|1,1,0]=4 312 B5R0.5 CC(C)[C@@H](C)N AMY22001 [0,2,0,0,0,0|2,0,0]=4 313 B5R0.5 CC(C)[C@H](C)N AMY14243 [0,2,0,0,0,0|2,0,0]=4 314 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [0,2,0,0,0,0|0,0,1]=3 315 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [0,2,0,0,0,0|1,0,1]=4 316 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [0,2,0,0,0,0|1,0,1]=4 317 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [0,2,0,0,0,0|1,0,1]=4 318 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [0,2,0,0,0,0|1,0,1]=4 319 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [0,2,0,0,0,0|1,0,1]=4 320 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [0,2,0,0,0,0|1,0,1]=4 321 B5R0.2 BrCCCCBr AM20080049 [0,2,0,0,0,0|0,2,0]=4 322 B5R0.2 C#CCCCC AMY1242 [0,2,0,0,0,0|2,0,0]=4 323 B5R0.2 C=CCCC=C AMY18716 [0,2,0,0,0,0|2,0,0]=4 324 B5R0.2 C=CCCC=C AMY19739 [0,2,0,0,0,0|2,0,0]=4 325 B5R0.2 C=CCCCBr AM20080066 [0,2,0,0,0,0|1,1,0]=4 326 B5R0.2 C=CCCCO AMY41353 [0,2,0,0,0,0|2,0,0]=4 327 B5R0.2 CCC#CCO AMY1239 [0,2,0,0,0,0|2,0,0]=4 328 B5R0.2 CCCCCBr AMY9378 [0,2,0,0,0,0|1,1,0]=4 329 B5R0.2 CCCCCC AMY22305 [0,2,0,0,0,0|2,0,0]=4 330 B5R0.2 CCCCCN AMY21878 [0,2,0,0,0,0|2,0,0]=4 331 B5R0.2 CCCCCS AMY19243 [0,2,0,0,0,0|2,0,0]=4 332 B5R0.2 CCCCNN AMY202003284 [0,2,0,0,0,0|2,0,0]=4 333 B5R0.2 CCCNCC AMY13343 [0,2,0,0,0,0|2,0,0]=4 334 B5R0.2 CNCCCN AM20100546 [0,2,0,0,0,0|2,0,0]=4 335 B5R0.2 CNCCNC AM86300 [0,2,0,0,0,0|2,0,0]=4 336 B5R0.2 COCCC#N AMY40960 [0,2,0,0,0,0|2,0,0]=4 337 B5R0.2 COCCCBr AM20090592 [0,2,0,0,0,0|1,1,0]=4 338 B5R0.2 COCCCCl AMY25654 [0,2,0,0,0,0|1,0,0]=3 339 B5R0.2 COCCCN AMY21871 [0,2,0,0,0,0|2,0,0]=4 340 B5R0.2 COCCCN AMY38449 [0,2,0,0,0,0|2,0,0]=4 341 B5R0.2 COCCCO AM20080231 [0,2,0,0,0,0|2,0,0]=4 342 B5R0.2 COCCNN AM803665 [0,2,0,0,0,0|2,0,0]=4 343 B5R0.2 COCCNN AMY202003278 [0,2,0,0,0,0|2,0,0]=4 344 B5R0.2 COCCOC AMY25530 [0,2,0,0,0,0|2,0,0]=4 345 B5R0.2 COCCON AMY27642 [0,2,0,0,0,0|2,0,0]=4 346 B5R0.2 CSCCCCl AMY744 [0,2,0,0,0,0|1,0,0]=3 347 B5R0.2 ClCCCCI AMY2538 [0,2,0,0,0,0|0,1,0]=3 348 B5R0.2 ClCCOCCl AMY38249 [0,2,0,0,0,0|0,0,0]=2 349 B5R0.2 ClC\C=C\CCl AMY2667 [0,2,0,0,0,0|0,0,0]=2 350 B5R0.2 N#CCCC#N AMY25947 [0,2,0,0,0,0|2,0,0]=4 351 B5R0.2 N#CCCC=O AMY9205 [0,2,0,0,0,0|2,0,0]=4 352 B5R0.2 N#CCCCBr AMY10438 [0,2,0,0,0,0|1,1,0]=4 353 B5R0.2 N#CCCCCl AMY40893 [0,2,0,0,0,0|1,0,0]=3 354 B5R0.2 N#CCCNN AMY202100074 [0,2,0,0,0,0|2,0,0]=4 355 B5R0.2 NCCCCCl AMY15236 [0,2,0,0,0,0|1,0,0]=3 356 B5R0.2 NCCCCN AM20090504 [0,2,0,0,0,0|2,0,0]=4 357 B5R0.2 NCCCCO AMY17788 [0,2,0,0,0,0|2,0,0]=4 358 B5R0.2 NOC\C=C\Cl AM90386 [0,2,0,0,0,0|1,0,1]=4 359 B5R0.2 O=C=NCCCl AMY23213 [0,2,0,0,0,0|1,0,0]=3 360 B5R0.2 O=CCCC=O AMY18777 [0,2,0,0,0,0|2,0,0]=4 361 B5R0.2 OC\C=C\CCl AMY768 [0,2,0,0,0,0|1,0,0]=3 362 B5R1.2 BrC1CCC1 AM803913 [0,1,0,1,0,0|1,1,0]=4 363 B5R1.2 BrC1CNC1 AMY34832 [0,1,0,1,0,0|1,1,0]=4 364 B5R1.2 BrC1COC1 AM20020035 [0,1,0,1,0,0|1,1,0]=4 365 B5R1.2 CC1CNC1 AM20120351 [0,1,0,1,0,0|2,0,0]=4 366 B5R1.2 C[C@H]1CCN1 AM806564 [0,1,0,1,0,0|2,0,0]=4 367 B5R1.2 ClC1CCC1 AMY6175 [0,1,0,1,0,0|1,0,0]=3 368 B5R1.2 ClC1CNC1 AMY33719 [0,1,0,1,0,0|1,0,0]=3 369 B5R1.2 ClC1COC1 AMY34839 [0,1,0,1,0,0|1,0,0]=3 370 B5R1.2 FC1CNC1 AM20100512 [0,1,0,1,0,0|1,1,0]=4 371 B5R1.2 FC1CNC1 AMY12200 [0,1,0,1,0,0|1,1,0]=4 372 B5R1.2 FC1COC1 AM20020027 [0,1,0,1,0,0|1,1,0]=4 373 B5R1.2 IC1CCC1 AMY6180 [0,1,0,1,0,0|1,1,0]=4 374 B5R1.2 IC1COC1 AM20020026 [0,1,0,1,0,0|1,1,0]=4 375 B5R1.2 NC1CCC1 AMY2668 [0,1,0,1,0,0|2,0,0]=4 376 B5R1.2 NC1CCC1 AMY6177 [0,1,0,1,0,0|2,0,0]=4 377 B5R1.2 NC1CNC1 AMY6172 [0,1,0,1,0,0|2,0,0]=4 378 B5R1.2 NC1COC1 AM20020021 [0,1,0,1,0,0|2,0,0]=4 379 B5R1.2 NC1COC1 AM85383 [0,1,0,1,0,0|2,0,0]=4 380 B5R1.2 NC1CSC1 AM20120367 [0,1,0,1,0,0|2,0,0]=4 381 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,1,0,1,0,0|2,0,0]=4 382 B5R1.2 O=C1CCC1 AM20070575 [0,1,0,1,0,0|2,0,0]=4 383 B5R1.2 O=C1CCN1 AMY18291 [0,1,0,1,0,0|2,0,0]=4 384 B5R1.2 O=C1CCO1 AM20020040 [0,1,0,1,0,0|2,0,0]=4 385 B5R1.2 OC1CCC1 AM803645 [0,1,0,1,0,0|2,0,0]=4 386 B5R1.2 OC1CNC1 AM20100158 [0,1,0,1,0,0|2,0,0]=4 387 B5R1.2 OC1COC1 AM20020046 [0,1,0,1,0,0|2,0,0]=4 388 B5R1.2 OC1CSC1 AMY35636 [0,1,0,1,0,0|2,0,0]=4 389 B5R1.2 SC1COC1 AMY33758 [0,1,0,1,0,0|2,0,0]=4 390 B5R1.3 BrCC1CC1 AM90231 [0,1,0,1,0,0|1,1,0]=4 391 B5R1.3 BrC[C@H]1CO1 AMY31919 [0,1,0,1,0,0|1,1,0]=4 392 B5R1.3 C#CC1CC1 AM20100625 [0,1,0,1,0,0|2,0,0]=4 393 B5R1.3 C=C[C@@H]1CO1 AMY40815 [0,1,0,1,0,0|2,0,0]=4 394 B5R1.3 CNC1CC1 AM20100262 [0,1,0,1,0,0|2,0,0]=4 395 B5R1.3 CNC1CC1 AM20100622 [0,1,0,1,0,0|2,0,0]=4 396 B5R1.3 ClCC1CC1 AM20100440 [0,1,0,1,0,0|1,0,0]=3 397 B5R1.3 ClC[C@H]1CO1 AM20090809 [0,1,0,1,0,0|1,0,0]=3 398 B5R1.3 ClC[C@H]1CO1 AM20090812 [0,1,0,1,0,0|1,0,0]=3 399 B5R1.3 ClC[C@H]1CO1 AMY40813 [0,1,0,1,0,0|1,0,0]=3 400 B5R1.3 ICC1CC1 AMY6123 [0,1,0,1,0,0|1,1,0]=4 401 B5R1.3 IC[C@H]1CO1 AMY5696 [0,1,0,1,0,0|1,1,0]=4 402 B5R1.3 N#CC1CC1 AMY3403 [0,1,0,1,0,0|2,0,0]=4 403 B5R1.3 NCC1CC1 AM61420 [0,1,0,1,0,0|2,0,0]=4 404 B5R1.3 NNC1CC1 AM10015 [0,1,0,1,0,0|2,0,0]=4 405 B5R1.3 O=CC1CC1 AM90182 [0,1,0,1,0,0|2,0,0]=4 406 B5R1.3 OCC1CC1 AM20090298 [0,1,0,1,0,0|2,0,0]=4 407 B5R1.3 OC[C@H]1CO1 AM20100365 [0,1,0,1,0,0|2,0,0]=4 408 B5R1.3 OC[C@H]1CO1 AM20100474 [0,1,0,1,0,0|2,0,0]=4 409 B5R1.3 OC[C@H]1CO1 AM81447 [0,1,0,1,0,0|2,0,0]=4 410 B5R1.4 CC1CC1N AM806543 [0,1,0,1,0,0|2,0,0]=4 411 B5R1.4 CC1CC1N AM806563 [0,1,0,1,0,0|2,0,0]=4 412 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [0,1,0,1,0,0|1,1,0]=4 413 B5R1.4 FC1CC1Br AMY5835 [0,1,0,1,0,0|0,2,0]=4 414 B5R1.4 N[C@@H]1CC1F AM84389 [0,1,0,1,0,0|1,1,0]=4 415 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [0,1,0,1,0,0|2,0,0]=4 416 B5R1.5 CC1(N)CC1 AM803556 [0,1,0,1,0,0|2,0,0]=4 417 B5R1.5 CC1(O)CC1 AMY38664 [0,1,0,1,0,0|2,0,0]=4 418 B5R1.1 C1=CCNC1 AM20100570 [0,1,0,1,0,0|2,0,0]=4 419 B5R1.1 C1=CCNC1 AM9928 [0,1,0,1,0,0|2,0,0]=4 420 B5R1.1 C1=CCOC1 AM81814 [0,1,0,1,0,0|2,0,0]=4 421 B5R1.1 C1=CNCC1 AMY6075 [0,1,0,1,0,0|2,0,0]=4 422 B5R1.1 C1CCNC1 AMY10044 [0,1,0,1,0,0|2,0,0]=4 423 B5R1.1 C1CCOC1 AMY11079 [0,1,0,1,0,0|2,0,0]=4 424 B5R1.1 C1CCOC1 AMY14809 [0,1,0,1,0,0|2,0,0]=4 425 B5R1.1 C1CCOC1 AMY14877 [0,1,0,1,0,0|2,0,0]=4 426 B5R1.1 C1CNNC1 AMY28694 [0,1,0,1,0,0|2,0,0]=4 427 B5R1.1 C1CNOC1 AM803837 [0,1,0,1,0,0|2,0,0]=4 428 B5R1.1 C1COCN1 AMY42397 [0,1,0,1,0,0|2,0,0]=4 429 B5R1.1 C1CSCN1 AMY40189 [0,1,0,1,0,0|2,0,0]=4