0 B5R0.1 C=C(C)CCBr AMY7022 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C=CCC(C)=O AMY31929 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=CC[C@H](C)N AM9152 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=CC[C@H](C)O AM804193 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(=O)CC#N AM86800 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 CC(=O)CC#N AMY7035 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CC(=O)CCO AMY31061 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(=O)OCCl AMY28690 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(C)=CC=O AMY42093 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 CC(C)=CCBr AMY21882 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CC(C)CNN AM806328 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.1 CC(C)CNN AM9787 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.1 CC(C)CON AMY31434 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.1 CC(C)OCCl AMY23885 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CC(C)\C=N\O AMY37290 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CCCB(O)O AMY987 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CCCC(=N)N AM802888 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CCCC(=N)N AMY2389 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CCCC(C)=O AMY25524 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 CCC[C@H](C)N AMY12548 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 CCNC(C)C AMY13342 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 CCOC(C)=N AM90190 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 CCSC(C)=S AM90236 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 CN(C)CCBr AM84884 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 CN(C)CCCl AM20080022 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 CN(C)CCCl AM20100171 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 CN(C)CCN AM20080032 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.1 CNCC(C)=O AM806508 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 COC[C@@H](C)N AMY19545 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 COC[C@H](C)O AM20100219 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 C[C@@H](O)CCO AMY25740 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 C[C@H](N)CCO AM84886 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 C[C@H](N)CCO AM9719 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 C[C@H](N)CCO AMY409 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 C[C@H](O)CNN AM803409 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.1 C\C(Br)=C/CO AMY11209 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.1 NCCC(=O)O AM20080020 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 NCCC(=O)O AMY22128 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.1 NCCC(N)=O AM20100576 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.1 NCCC(N)=O AMY6958 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.1 NNCC(=O)O AMY202100023 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 NOCC(=O)O AMY19484 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 O=C(Cl)CCBr AM90184 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 O=C(O)CCBr AM20100434 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 O=C(O)CCF AM803932 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 O=C(O)CCO AM85796 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 O=C(O)CCS AMY27767 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.1 C#C[C@@H](C)O AMY24232 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 C#C[C@H](C)Br AMY12092 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 C#C[C@H](C)N AM806670 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 C#C[C@H](C)O AMY34392 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 C=C(C)CBr AM85592 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 C=C(C)CN AMY13356 [1,0,0,0,0,0|0,0,2]=3 53 B4R0.1 C=C=C(C)C AMY42296 [1,0,0,0,0,0|0,0,3]=4 54 B4R0.1 C=C[C@H](C)Cl AMY617 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.1 C=C[C@H](C)O AMY1257 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 CC(=O)CBr AM85840 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 CC(=O)CN AMY15017 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 CC(=O)CN AMY25062 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(=O)NN AM20080014 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 CC(C)=CBr AM85707 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.1 CC(C)=NN AM9761 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 CC(C)=NO AM90369 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 CC(C)CBr AMY25783 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 CC(C)NN AM20090002 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 CC(C)NN AMY202003297 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 CC(C)ON AM90376 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 CCB(O)O AM80871 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 CCC(=N)N AM803843 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CCC(=O)Cl AMY4112 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 CCC(=O)O AMY4114 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 CCC(=O)[O-] AMY22300 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 CCC(=O)[O-] AMY37013 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 CCC(C)[O-] AMY22246 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 CCC(N)=S AMY39288 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 CCN(C)C AMY13339 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 CC[C@H](C)O AMY11001 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.1 CC[S@](=O)[O-] AMY15674 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 CN(C)C=S AMY40664 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 CN(C)CCl AMY39211 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 CNC(C)=O AMY4115 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 CNC(C)C AMY13353 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.1 COC(Cl)Cl AMY31937 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 C[C@H](Br)C#N AMY39192 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 C[C@H](N)C#N AM9634 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 C[C@H](N)CN AMY3672 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.1 C[C@H](N)CO AM20090557 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 C[C@H](N)CO AM20100507 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 C[C@H](O)CN AM20090353 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.1 C[C@H](O)CN AM20100779 [1,0,0,0,0,0|1,0,0]=2 93 B4R0.1 C[C@H](O)CN AM81450 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 FC(F)CCl AMY6873 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 FC(F)CI AMY20040 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 F[C@@H](Br)CBr AMY6863 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 NCC(=O)O AM81781 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 NCC(=O)[O-] AMY37022 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 NCC(F)F AMY7132 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 NCC(N)=O AM20080473 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 NCC(N)=O AMY20517 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 NCC(N)=O AMY22705 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 OCC(F)F AMY3957 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 [Li]CC(C)C AMY14929 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.2 BrCCCBr AMY25527 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.2 C#CCCBr AMY1272 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.2 C#CCOC AMY1246 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.2 C#COCC AMY33551 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 C=CCCCl AMY11185 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 C=CCCO AMY14291 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 C=CCNC AMY13350 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 C=CCNN AM806419 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.2 C=CCOC AM20100534 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 C=CCON AM90375 [1,0,0,0,0,0|1,0,2]=4 116 B4R0.2 CC#CCBr AMY1227 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.2 CC#CCO AMY19259 [1,0,0,0,0,0|1,0,2]=4 118 B4R0.2 CCCCN AMY21914 [1,0,0,0,0,0|0,0,0]=1 119 B4R0.2 CCCNN AM9771 [1,0,0,0,0,0|1,0,0]=2 120 B4R0.2 CCNCC AMY25752 [1,0,0,0,0,0|2,0,0]=3 121 B4R0.2 CCPCC AMY11725 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.2 CC\C=C\Br AMY796 [1,0,0,0,0,0|1,0,2]=4 123 B4R0.2 CNCC#N AM20090317 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.2 CNCCCl AM803928 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.2 CNCCF AMY202003232 [1,0,0,0,0,0|2,0,0]=3 126 B4R0.2 CNCCO AMY32697 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.2 COCCCl AMY25739 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.2 COCCN AM808206 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.2 CSCCCl AMY15533 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.2 CSCCN AMY33509 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.2 CSCCO AMY19250 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.2 C\C=C\CCl AMY618 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.2 C\C=C\CO AMY21936 [1,0,0,0,0,0|1,0,2]=4 134 B4R0.2 ClCCCBr AMY40180 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.2 ClCCCCl AMY22013 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.2 ClCCCI AMY25762 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.2 FCCCBr AMY28674 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 N#CCCCl AMY21819 [1,0,0,0,0,0|1,0,2]=4 139 B4R0.2 NCCCBr AM20100225 [1,0,0,0,0,0|1,0,0]=2 140 B4R0.2 NCCCN AMY21886 [1,0,0,0,0,0|1,0,0]=2 141 B4R0.2 NCCON AMY10143 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 NNCCO AM20080045 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.2 OCCCBr AM20100533 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.2 OCCCCl AMY9478 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.2 OCCCF AM1014 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.2 SCCCBr AM806637 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.2 [Li]CCCC AMY14790 [1,0,0,0,0,0|1,0,0]=2 148 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.1 COC(=O)CCBr AMY21872 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.1 COC(=O)CCN AM20090461 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.1 COC(=O)CCO AM85845 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,0,0,0,0|0,0,0]=1 154 B6R0.1 C[C@H](CO)CCO AMY37676 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,1,0,0,0,0|1,0,2]=4 156 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,1,0,0,0,0|1,0,2]=4 157 B6R0.1 O=C(CCl)CCCl AM9592 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.1 OCC[C@H](O)CO AMY14876 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.1 OCC[C@H](O)CO AMY6061 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.2 CC(=O)CC(C)C AMY11098 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.2 CC(=O)NC(C)C AMY3785 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.2 CC(C)CB(O)O AM80872 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.2 CC(C)CC(=O)O AMY40214 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,1,0,0,0,0|0,0,0]=1 165 B6R0.2 CC(C)NC(C)C AMY8971 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.2 CN(C)CC(=O)O AM20080064 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.2 CN(C)CC(=O)O AM81799 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.3 CC(C)C(=N)NO AM803769 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.3 CC(C)C(=O)NN AMY3958 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,1,0,0,0,0|1,0,0]=2 190 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,1,0,0,0,0|1,0,0]=2 191 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,1,0,0,0,0|0,0,2]=3 194 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.3 CCC(=O)N(C)C AMY38676 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.3 CN(C)C(=O)CCl AM84854 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 CN(C)C(=O)CI AM805909 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 CN(C)C(=O)CN AM20100689 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.3 CN(C)C(=O)CN AMY4281 [0,1,0,0,0,0|1,0,1]=3 201 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.4 C=CCCC(C)=O AM84335 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.4 CC(=O)NCCN AMY40665 [0,1,0,0,0,0|1,0,1]=3 211 B6R0.4 CC(C)CCCO AMY39142 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.4 CC(C)CON=O AMY4012 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.4 CC(C)NCCCl AMY31121 [0,1,0,0,0,0|1,0,0]=2 214 B6R0.4 CC(C)OCCBr AM80879 [0,1,0,0,0,0|1,0,0]=2 215 B6R0.4 CCCCN(C)C AMY25818 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.4 CCOCC(Br)Br AMY830 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.4 CN(C)CCCCl AM84336 [0,1,0,0,0,0|2,0,0]=3 218 B6R0.4 CN(C)CCCCl AM90218 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.4 CN(C)CCON AMY27281 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.4 CNCCC(=O)O AM84855 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.4 CNCCC(C)C AMY37348 [0,1,0,0,0,0|0,0,0]=1 222 B6R0.4 CNCCC(C)C AMY37370 [0,1,0,0,0,0|0,0,0]=1 223 B6R0.4 CNCCN(C)C AMY10373 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,1,0,0,0,0|2,0,0]=3 225 B6R0.4 NCCCC(=O)O AM20100372 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.4 NCCCC(N)=O AMY15220 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.5 C#CCC(C)(C)O AM806691 [0,1,0,0,0,0|1,0,1]=3 228 B6R0.5 C#CC[Si](C)(C)C AMY6982 [0,1,0,0,0,0|1,1,1]=4 229 B6R0.5 C=CC[Si](C)(C)C AMY7007 [0,1,0,0,0,0|1,1,1]=4 230 B6R0.5 C=CC[Si](C)(C)Cl AMY19831 [0,1,0,0,0,0|1,1,1]=4 231 B6R0.5 CC(C)(C)CC=O AM20090398 [0,1,0,0,0,0|1,0,1]=3 232 B6R0.5 CC(C)(C)CCO AM20100528 [0,1,0,0,0,0|1,0,0]=2 233 B6R0.5 CC(C)(C)N=C=S AMY23377 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.5 CC(C)(C)ON=O AMY4009 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.5 CC(C)(N)CCO AMY117 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.5 CC(C)(O)CCN AMY42489 [0,1,0,0,0,0|0,0,0]=1 237 B6R0.5 CCO[Si](C)(C)C AMY7005 [0,1,0,0,0,0|2,1,0]=4 238 B6R0.5 CNCC(C)(C)O AM807013 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.5 COCC(C)(C)O AMY9274 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.5 CS(=O)(=O)CCBr AMY20175 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.5 CS(=O)(=O)CCCl AM803975 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.5 CS(=O)(=O)CCN AM20070694 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.5 C[N+](C)(C)CCO AMY13894 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.5 C[N+](C)(C)CCO AMY13898 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.5 C[Si](C)(C)CCO AMY28668 [0,1,0,0,0,0|1,1,0]=3 246 B6R0.5 FC(F)(F)CCCl AMY6841 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.5 FC(F)(F)CCI AMY6816 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.5 NCCC(F)(F)F AM20090393 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.5 NCCC(F)(F)F AMY15153 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.5 NCCP(=O)(O)O AMY31171 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.5 NCCS(=O)(=O)O AM20080018 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.5 OCCC(F)(F)F AMY6830 [0,1,0,0,0,0|3,0,0]=4 253 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,1,0,0|2,0,0]=3 254 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,1,0,0|1,0,0]=2 255 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,1,0,0|1,0,0]=2 256 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,1,0,0|1,0,0]=2 257 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,1,0,0|1,0,0]=2 258 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,1,0,0|1,0,0]=2 259 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,1,0,0|1,0,0]=2 260 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,1,0,0|2,0,0]=3 261 B6R1.2 C=C1CCOC1 AMY6014 [0,0,0,1,0,0|1,0,2]=4 262 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,1,0,0|1,0,2]=4 263 B6R1.2 CC1=NCCC1 AMY886 [0,0,0,1,0,0|2,0,1]=4 264 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,1,0,0|1,0,0]=2 265 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,1,0,0|0,0,0]=1 267 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,1,0,0|2,0,0]=3 270 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,1,0,0|2,0,0]=3 271 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,1,0,0|2,0,0]=3 272 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,1,0,0|2,0,0]=3 273 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,1,0,0|0,0,0]=1 274 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,1,0,0|0,0,0]=1 275 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,1,0,0|0,0,0]=1 276 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,1,0,0|2,0,0]=3 277 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,1,0,0|1,0,0]=2 278 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,1,0,0|1,0,0]=2 279 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,1,0,0|1,0,0]=2 280 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,1,0,0|1,0,0]=2 281 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,1,0,0|1,0,0]=2 282 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,1,0,0|1,0,0]=2 283 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,1,0,0|2,0,0]=3 284 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,1,0,0|1,0,0]=2 285 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,1,0,0|1,0,0]=2 286 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,1,0,0|1,0,0]=2 287 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,1,0,0|1,0,0]=2 288 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,1,0,0|1,0,0]=2 289 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,1,0,0|2,0,0]=3 290 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,1,0,0|1,0,0]=2 291 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,1,0,0|1,0,0]=2 292 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,1,0,0|1,0,0]=2 293 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,1,0,0|1,0,0]=2 294 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,1,0,0|1,0,0]=2 295 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,1,0,0|1,0,0]=2 296 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,1,0,0|2,0,0]=3 297 B6R1.2 N=C1CCCC1 AMY39966 [0,0,0,1,0,0|2,0,1]=4 298 B6R1.2 NC1CC=CC1 AM20120323 [0,0,0,1,0,0|2,0,1]=4 299 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,1,0,0|2,0,0]=3 300 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,1,0,0|3,0,0]=4 301 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,1,0,0|1,0,0]=2 302 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,1,0,0|1,0,0]=2 303 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,1,0,0|1,0,0]=2 304 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,1,0,0|2,0,0]=3 305 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,1,0,0|2,0,0]=3 306 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,1,0,0|2,0,0]=3 307 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,1,0,0|2,0,0]=3 308 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,1,0,0|2,0,0]=3 309 B6R1.2 O=C1CCCC1 AMY37126 [0,0,0,1,0,0|2,0,1]=4 310 B6R1.2 O=C1CCNC1 AM20120384 [0,0,0,1,0,0|1,0,1]=3 311 B6R1.2 O=C1CCNC1 AMY6183 [0,0,0,1,0,0|1,0,1]=3 312 B6R1.2 O=C1CCNN1 AMY39277 [0,0,0,1,0,0|2,0,1]=4 313 B6R1.2 O=C1CCOC1 AM20090235 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.2 O=C1CCSC1 AMY23378 [0,0,0,1,0,0|2,0,1]=4 315 B6R1.2 O=C1CNCN1 AM84594 [0,0,0,1,0,0|2,0,1]=4 316 B6R1.2 OC1CC=CC1 AMY9178 [0,0,0,1,0,0|2,0,1]=4 317 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,1,0,0|2,0,0]=3 318 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,1,0,0|3,0,0]=4 319 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,1,0,0|2,0,0]=3 320 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,1,0,0|1,0,0]=2 321 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,1,0,0|1,0,0]=2 322 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,1,0,0|1,0,0]=2 323 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,1,0,0|1,0,0]=2 324 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,1,0,0|1,0,0]=2 325 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,1,0,0|2,0,0]=3 326 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,1,0,0|2,0,0]=3 327 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,1,0,0|2,0,0]=3 328 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,1,0,0|2,0,0]=3 329 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,1,0,0|2,0,0]=3 330 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,1,0,0|2,0,0]=3 331 B6R1.3 BrCCC1CC1 AMY202003230 [0,0,0,1,0,0|1,0,0]=2 332 B6R1.3 BrCC[C@H]1CO1 AMY20094 [0,0,0,1,0,0|2,0,0]=3 333 B6R1.3 CNCC1CC1 AM803431 [0,0,0,1,0,0|2,0,0]=3 334 B6R1.3 CNCC1CC1 AMY34463 [0,0,0,1,0,0|2,0,0]=3 335 B6R1.3 COC[C@H]1CO1 AM20120337 [0,0,0,1,0,0|3,0,0]=4 336 B6R1.3 ICCC1CC1 AMY34362 [0,0,0,1,0,0|1,0,0]=2 337 B6R1.3 N#CCC1CC1 AM20100595 [0,0,0,1,0,0|0,0,2]=3 338 B6R1.3 NCCC1CC1 AMY39140 [0,0,0,1,0,0|0,0,0]=1 339 B6R1.3 NCCC1CC1 AMY4139 [0,0,0,1,0,0|0,0,0]=1 340 B6R1.3 NNCC1CC1 AM10018 [0,0,0,1,0,0|1,0,0]=2 341 B6R1.3 NNCC1CC1 AMY16104 [0,0,0,1,0,0|1,0,0]=2 342 B6R1.3 NOCC1CC1 AM90383 [0,0,0,1,0,0|1,0,0]=2 343 B6R1.3 O=CNC1CC1 AM804092 [0,0,0,1,0,0|2,0,1]=4 344 B6R1.3 OCCC1CC1 AMY3915 [0,0,0,1,0,0|1,0,0]=2 345 B6R1.3 S=C=NC1CC1 AM20080903 [0,0,0,1,0,0|2,0,1]=4 346 B6R1.5 C=C1CC(N)C1 AM84287 [0,0,0,1,0,0|0,0,2]=3 347 B6R1.5 C=C1CC(N)C1 AM84288 [0,0,0,1,0,0|0,0,2]=3 348 B6R1.5 CC1CC(=O)C1 AM806996 [0,0,0,1,0,0|1,0,1]=3 349 B6R1.5 CN1CC(N)C1 AMY4272 [0,0,0,1,0,0|1,0,0]=2 350 B6R1.5 CN1CC(O)C1 AM802928 [0,0,0,1,0,0|2,0,0]=3 351 B6R1.5 CN1CC(O)C1 AMY9067 [0,0,0,1,0,0|2,0,0]=3 352 B6R1.5 NC1CC(=O)C1 AM20070559 [0,0,0,1,0,0|1,0,1]=3 353 B6R1.5 NC1CC(F)C1 AMY6159 [0,0,0,1,0,0|1,0,0]=2 354 B6R1.5 NC1CC(N)C1 AM85963 [0,0,0,1,0,0|1,0,0]=2 355 B6R1.5 NC1CC(O)C1 AM20070560 [0,0,0,1,0,0|1,0,0]=2 356 B6R1.5 NC1CC(O)C1 AM20070615 [0,0,0,1,0,0|1,0,0]=2 357 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,0,0,1,0,0|1,0,0]=2 358 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,0,0,1,0,0|1,0,0]=2 359 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,0,0,1,0,0|1,0,0]=2 360 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,0,0,1,0,0|1,0,0]=2 361 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,0,0,1,0,0|1,0,0]=2 362 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,0,0,1,0,0|1,0,0]=2 363 B6R1.5 O=C1CC(O)C1 AMY33736 [0,0,0,1,0,0|2,0,1]=4 364 B6R1.5 OC1CC(F)C1 AMY33730 [0,0,0,1,0,0|2,0,0]=3 365 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,0,0,1,0,0|2,0,0]=3 366 B6R1.8 CC1CC1CN AM806562 [0,0,0,1,0,0|0,0,0]=1 367 B6R1.8 CC1CC1CO AM804126 [0,0,0,1,0,0|1,0,0]=2 368 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,0,0,1,0,0|2,0,0]=3 369 B6R1.10 CC1(C)CNC1 AMY14184 [0,0,0,1,0,0|2,0,0]=3 370 B6R1.10 CC1(C)COC1 AM20020043 [0,0,0,1,0,0|2,0,0]=3 371 B6R1.10 CC1(N)CCC1 AM808140 [0,0,0,1,0,0|2,0,0]=3 372 B6R1.10 CC1(N)CCC1 AMY1785 [0,0,0,1,0,0|2,0,0]=3 373 B6R1.10 CC1(N)COC1 AM20020051 [0,0,0,1,0,0|3,0,0]=4 374 B6R1.10 CC1(O)CNC1 AM81138 [0,0,0,1,0,0|3,0,0]=4 375 B6R1.10 CC1(O)COC1 AMY33735 [0,0,0,1,0,0|3,0,0]=4 376 B6R1.11 CC(=O)C1CC1 AM83286 [0,0,0,1,0,0|2,0,1]=4 377 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,0,0,1,0,0|2,0,0]=3 378 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,0,0,1,0,0|2,0,0]=3 379 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,0,0,1,0,0|2,0,0]=3 380 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [0,0,0,1,0,0|2,0,1]=4 381 B3R0.1 BrCCBr AMY25519 [2,0,0,0,0,0|2,0,0]=4 382 B3R0.1 C#CCN AM86798 [2,0,0,0,0,0|0,0,2]=4 383 B3R0.1 C#CCN AMY22227 [2,0,0,0,0,0|0,0,2]=4 384 B3R0.1 C=CCN AMY22118 [2,0,0,0,0,0|0,0,2]=4 385 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|1,0,0]=3 386 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|1,0,0]=3 387 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|1,0,0]=3 388 B3R0.1 CCON AM90373 [2,0,0,0,0,0|1,0,0]=3 389 B3R0.1 CNOC AM20100609 [2,0,0,0,0,0|2,0,0]=4 390 B3R0.1 CSSC AMY39506 [2,0,0,0,0,0|2,0,0]=4 391 B3R0.1 C[Se][Se]C AMY31938 [2,0,0,0,0,0|2,0,0]=4 392 B3R0.1 ClCCBr AMY25520 [2,0,0,0,0,0|2,0,0]=4 393 B3R0.1 ClCCCl AMY33455 [2,0,0,0,0,0|2,0,0]=4 394 B3R0.1 FCCBr AMY39418 [2,0,0,0,0,0|2,0,0]=4 395 B3R0.1 FCCI AM20100746 [2,0,0,0,0,0|2,0,0]=4 396 B3R0.1 N#CCN AMY19488 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.1 NCCBr AM20090316 [2,0,0,0,0,0|1,0,0]=3 398 B3R0.1 NCCCl AMY3602 [2,0,0,0,0,0|1,0,0]=3 399 B3R0.1 NCCF AM20100176 [2,0,0,0,0,0|1,0,0]=3 400 B3R0.1 NCCS AMY202100105 [2,0,0,0,0,0|1,0,0]=3 401 B3R0.1 OCCBr AMY39504 [2,0,0,0,0,0|2,0,0]=4 402 B3R0.1 OCCF AMY25659 [2,0,0,0,0,0|2,0,0]=4 403 B3R0.1 OCCO AMY22336 [2,0,0,0,0,0|2,0,0]=4 404 B3R0.2 CC(C)Br AMY37129 [2,0,0,0,0,0|1,0,0]=3 405 B3R0.2 CC(C)O AMY11029 [2,0,0,0,0,0|1,0,0]=3 406 B3R0.2 CC(C)[Mg+] AMY40195 [2,0,0,0,0,0|1,0,0]=3 407 B3R0.2 CC(C)[O-] AMY38606 [2,0,0,0,0,0|1,0,0]=3 408 B3R0.2 CC(C)[O-] AMY40472 [2,0,0,0,0,0|1,0,0]=3 409 B3R0.2 CP(C)C AMY19776 [2,0,0,0,0,0|1,0,0]=3 410 B3R0.2 CS(C)=O AMY14894 [2,0,0,0,0,0|2,0,0]=4 411 B3R0.2 C[PH](C)=O AM90266 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.2 C[S+](C)C AMY12539 [2,0,0,0,0,0|1,0,0]=3 413 B3R0.2 C[S+](C)C AMY9344 [2,0,0,0,0,0|1,0,0]=3 414 B3R0.2 C[SiH](C)C AMY21899 [2,0,0,0,0,0|0,1,0]=3 415 B5R0.3 C=C[C@@H](O)CC AMY851 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.3 CC(CBr)CBr AMY21213 [1,1,0,0,0,0|1,0,0]=3 417 B5R0.3 CC(CI)CI AMY32062 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.3 CCC(=O)CC AMY11060 [1,1,0,0,0,0|1,0,1]=4 419 B5R0.3 CCC(=O)OC AMY21940 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.3 CCC(N)CC AMY4054 [1,1,0,0,0,0|1,0,0]=3 421 B5R0.3 CCN(C)CC AMY13336 [1,1,0,0,0,0|1,0,0]=3 422 B5R0.3 CCN(O)CC AMY25658 [1,1,0,0,0,0|2,0,0]=4 423 B5R0.3 CC[C@@H](N)CO AM85835 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.3 CC[C@@H](O)CN AMY6653 [1,1,0,0,0,0|1,0,0]=3 425 B5R0.3 CC[C@@H](O)CO AMY40578 [1,1,0,0,0,0|1,0,0]=3 426 B5R0.3 CC[C@H](Br)CBr AMY31902 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.3 CC[C@H](C)CBr AMY28688 [1,1,0,0,0,0|0,0,0]=2 428 B5R0.3 CC[C@H](C)NN AM803011 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.3 CC[C@H](C)NN AM9772 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.3 CC[C@H](N)CO AM85834 [1,1,0,0,0,0|1,0,0]=3 431 B5R0.3 CC[C@H](N)CO AM85988 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.3 CC[C@H](O)CO AMY40584 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.3 CC\C(C)=N\O AM90385 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.3 COC(=O)CN AM81785 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.3 CO[C@@H](C)CN AMY21775 [1,1,0,0,0,0|0,0,0]=2 436 B5R0.3 C[C@@H](CO)CBr AMY14347 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.3 ClCC(Cl)CCl AMY22833 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.3 NC(CO)CO AM20100310 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.3 NCC(O)CN AM20100500 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.3 NC[C@H](F)CO AMY34391 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.3 NC[C@H](O)CCl AMY31075 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.3 NC[C@H](O)CO AM20100501 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.3 NC[C@H](O)CO AM20100602 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.3 NC[C@H](O)CO AMY18546 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.3 OC[C@H](Br)CBr AMY25826 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.3 OC[C@H](O)CCl AM81448 [1,1,0,0,0,0|2,0,0]=4 447 B5R0.3 OC[C@H](O)CCl AM81449 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.3 OC[C@H](O)CCl AMY21866 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.4 C#CC(C)(C)Cl AMY19182 [1,1,0,0,0,0|0,0,2]=4 450 B5R0.4 C#CC(C)(C)F AMY30164 [1,1,0,0,0,0|0,0,2]=4 451 B5R0.4 C#CC(C)(C)N AMY19729 [1,1,0,0,0,0|0,0,2]=4 452 B5R0.4 C#CC(C)(C)O AMY3792 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.4 C=CC(C)(C)O AMY3791 [1,1,0,0,0,0|0,0,2]=4 454 B5R0.4 CC(C)(C)C=O AMY14201 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.4 CC(C)(C)CBr AMY020 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.4 CC(C)(C)CCl AMY1168 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.4 CC(C)(C)CI AMY25581 [1,1,0,0,0,0|1,0,0]=3 458 B5R0.4 CC(C)(C)CN AMY5183 [1,1,0,0,0,0|0,0,0]=2 459 B5R0.4 CC(C)(C)CO AMY18878 [1,1,0,0,0,0|1,0,0]=3 460 B5R0.4 CC(C)(C)NN AMY4095 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.4 CC(C)(N)C#N AM20090129 [1,1,0,0,0,0|0,0,2]=4 462 B5R0.4 CC(C)(N)CN AMY14283 [1,1,0,0,0,0|0,0,0]=2 463 B5R0.4 CC(C)(N)CO AMY25550 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.4 CC(C)(O)CCl AMY10400 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.4 CC(C)(O)CN AM20090364 [1,1,0,0,0,0|0,0,0]=2 466 B5R0.4 CC(F)(F)CCl AMY6016 [1,1,0,0,0,0|2,0,0]=4 467 B5R0.4 CC(F)(F)CN AMY1251 [1,1,0,0,0,0|1,0,0]=3 468 B5R0.4 CC(F)(F)CO AMY1243 [1,1,0,0,0,0|2,0,0]=4 469 B5R0.4 CCC(C)(C)O AMY11089 [1,1,0,0,0,0|0,0,0]=2 470 B5R0.4 CCC(C)(C)[O-] AMY33539 [1,1,0,0,0,0|0,0,0]=2 471 B5R0.4 COC(C)(C)C AMY11032 [1,1,0,0,0,0|1,0,0]=3 472 B5R0.4 CP(C)(=O)CCl AM10868 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.4 CP(C)(=O)CO AM10876 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.4 C[Si](C)(C)CBr AMY42229 [1,1,0,0,0,0|1,1,0]=4 475 B5R0.4 C[Si](C)(C)CCl AMY39317 [1,1,0,0,0,0|1,1,0]=4 476 B5R0.4 C[Si](C)(C)CI AMY42187 [1,1,0,0,0,0|1,1,0]=4 477 B5R0.4 C[Si](C)(C)CO AMY36454 [1,1,0,0,0,0|1,1,0]=4 478 B5R0.4 NCC(F)(F)F AMY3624 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.4 NCC(F)(F)F AMY6806 [1,1,0,0,0,0|2,0,0]=4 480 B5R0.4 [Li]C[Si](C)(C)C AMY14833 [1,1,0,0,0,0|1,1,0]=4 481 B5R0.5 CC(=O)C(C)C AMY11021 [1,1,0,0,0,0|0,0,1]=3 482 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.5 CC(C)B(O)O AM1192 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.5 CC(C)N(C)C AMY13340 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.5 CC(C)[C@@H](C)N AMY22001 [1,1,0,0,0,0|0,0,0]=2 486 B5R0.5 CC(C)[C@H](C)N AMY14243 [1,1,0,0,0,0|0,0,0]=2 487 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.5 CN(C)C(=N)N AM804111 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.5 C[C@H](O)C(=N)N AM806558 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.2 BrCCCCBr AM20080049 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.2 C#CCCCC AMY1242 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.2 C=CCCCBr AM20080066 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.2 C=CCCCO AMY41353 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.2 CCC#CCO AMY1239 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.2 CCCCCBr AMY9378 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.2 CCCCCC AMY22305 [1,1,0,0,0,0|1,0,0]=3 500 B5R0.2 CCCCCN AMY21878 [1,1,0,0,0,0|0,0,0]=2 501 B5R0.2 CCCCCS AMY19243 [1,1,0,0,0,0|1,0,0]=3 502 B5R0.2 CCCCNN AMY202003284 [1,1,0,0,0,0|0,0,0]=2 503 B5R0.2 CCCNCC AMY13343 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.2 CNCCCN AM20100546 [1,1,0,0,0,0|0,0,0]=2 505 B5R0.2 CNCCNC AM86300 [1,1,0,0,0,0|1,0,0]=3 506 B5R0.2 COCCC#N AMY40960 [1,1,0,0,0,0|0,0,2]=4 507 B5R0.2 COCCCBr AM20090592 [1,1,0,0,0,0|1,0,0]=3 508 B5R0.2 COCCCCl AMY25654 [1,1,0,0,0,0|1,0,0]=3 509 B5R0.2 COCCCN AMY21871 [1,1,0,0,0,0|0,0,0]=2 510 B5R0.2 COCCCN AMY38449 [1,1,0,0,0,0|0,0,0]=2 511 B5R0.2 COCCCO AM20080231 [1,1,0,0,0,0|1,0,0]=3 512 B5R0.2 COCCNN AM803665 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.2 COCCNN AMY202003278 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.2 COCCOC AMY25530 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.2 COCCON AMY27642 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.2 CSCCCCl AMY744 [1,1,0,0,0,0|1,0,0]=3 517 B5R0.2 ClCCCCI AMY2538 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.2 ClCCOCCl AMY38249 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.2 N#CCCCBr AMY10438 [1,1,0,0,0,0|0,0,2]=4 520 B5R0.2 N#CCCCCl AMY40893 [1,1,0,0,0,0|0,0,2]=4 521 B5R0.2 N#CCCNN AMY202100074 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.2 NCCCCCl AMY15236 [1,1,0,0,0,0|0,0,0]=2 523 B5R0.2 NCCCCN AM20090504 [1,1,0,0,0,0|0,0,0]=2 524 B5R0.2 NCCCCO AMY17788 [1,1,0,0,0,0|0,0,0]=2 525 B7R0.2 CC(C)C[C@H](N)C#N AMY32610 [0,2,0,0,0,0|0,0,0]=2 526 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,2,0,0,0,0|0,0,0]=2 527 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,2,0,0,0,0|0,0,0]=2 528 B7R0.2 CC(C)OC(=O)CN AM81795 [0,2,0,0,0,0|0,0,1]=3 529 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.2 CCC(C)CC(C)N AMY12579 [0,2,0,0,0,0|0,0,0]=2 531 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.3 CNCCC(=O)OC AMY4326 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.3 COC(=O)CCCN AM803145 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.3 C[C@H](C#N)CCC#N AMY40818 [0,2,0,0,0,0|0,0,2]=4 539 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,2,0,0,0,0|0,0,0]=2 540 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,2,0,0,0,0|0,0,2]=4 542 B7R0.5 CC(C)C(=O)OCCl AMY4056 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.5 CC(C)N(C)CCO AMY9192 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.5 CCC[C@H](C)B(O)O AM80876 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.5 COC[C@H](N)C(C)C AM806372 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.7 CCCC(N)CCC AMY3864 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.7 CCCC(O)CCC AMY23531 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.7 CCOC(=O)CCN AM803889 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.10 OC[C@@H](O)[C@H](S)CS AMY39309 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.10 OC[C@H](O)[C@H](O)CO AM83963 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.11 C=CCC(C)(C)C=O AM20080935 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.11 CCCC(C)(C)CO AM20120588 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.11 COC(C)(C)CCN AMY21326 [0,2,0,0,0,0|0,0,0]=2 562 B7R0.12 CCCC(CO)CO AMY36979 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.12 CCCN(CC)CC AMY13337 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.12 CCN(CC)CCCl AM20110242 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.12 CCN(CC)CCN AMY358 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.12 CNCC(OC)OC AMY41272 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.12 COC(CCBr)OC AMY19911 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.12 COC(CCO)OC AMY38618 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.12 COCC(OC)OC AM20080585 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.9 CC(C)(C)CB(O)O AMY054 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.9 CC(C)(C)NC(N)=S AMY11605 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [0,2,0,0,0,0|1,0,1]=4 575 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,2,0,0,0,0|1,0,1]=4 576 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,2,0,0,0,0|1,0,1]=4 577 B7R0.9 CC(C)(N)CC(N)=O AMY120 [0,2,0,0,0,0|0,0,1]=3 578 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.9 CC(C)CC(C)(C)O AMY25737 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.9 CN(C)CC(C)(C)N AMY40945 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.9 CN(C)CC(C)(C)O AMY9263 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.9 C[C@H](O)C[N+](C)(C)C AMY18692 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.16 CC(C)C(N)C(C)C AMY9393 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,2,0,0,0,0|1,0,1]=4 586 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,2,0,0,0,0|0,0,1]=3 591 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.13 CC(C)C(Cl)(Cl)C=O AMY39939 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.13 CC(C)[C@](C)(N)C#N AM20080292 [0,2,0,0,0,0|0,0,2]=4 595 B7R0.14 CC(C)(C)C(=O)NN AM9992 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.14 CC(C)(C)[C@@H](N)CO AMY13406 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.14 CC(C)(C)[C@H](N)CO AMY206 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.14 CC(C)(O)C(=O)NN AMY31454 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.14 CC(C)(O)[C@H](F)CN AMY38972 [0,2,0,0,0,0|0,0,0]=2 600 B7R0.15 CC(C)C(C#N)C#N AMY37079 [0,2,0,0,0,0|0,0,2]=4 601 B7R0.15 CCN(CC)C(C)C AMY18859 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.4 CC(=O)NCCCN AMY36360 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.4 CC(C)CCON=O AMY3781 [0,2,0,0,0,0|0,0,1]=3 604 B7R0.4 CC(C)NCCCO AMY41464 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.4 CN(C)CCCCN AMY31964 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.4 CN(C)CCCCO AMY9644 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.4 CNCCCN(C)C AMY28735 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.4 CNCCOC(C)=O AMY15057 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.4 COCCCN(C)C AMY1821 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.4 C[C@H](O)CNCCO AM807035 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.6 CC(C)CCB(O)O AM90168 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,2,0,0,0,0|0,0,0]=2 616 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.6 CN(C)CCC(=O)O AM86616 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.6 CN(C)CCN(C)C AMY11857 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.6 CN(C)CCN(C)C AMY5730 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.8 C=CCC[Si](C)(C)C AMY24685 [0,2,0,0,0,0|1,1,0]=4 622 B7R0.8 CCCCC(C)(O)O AMY1200 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.8 C[Si](C)(Cl)CCCCl AMY42212 [0,2,0,0,0,0|1,1,0]=4 624 B7R0.8 NCCCC(F)(F)F AMY15208 [0,2,0,0,0,0|2,0,0]=4 625 B5R1.2 BrC1CCC1 AM803913 [1,0,0,1,0,0|1,0,0]=3 626 B5R1.2 BrC1CNC1 AMY34832 [1,0,0,1,0,0|1,0,0]=3 627 B5R1.2 BrC1COC1 AM20020035 [1,0,0,1,0,0|2,0,0]=4 628 B5R1.2 CC1CNC1 AM20120351 [1,0,0,1,0,0|0,0,0]=2 629 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|1,0,0]=3 630 B5R1.2 ClC1CCC1 AMY6175 [1,0,0,1,0,0|1,0,0]=3 631 B5R1.2 ClC1CNC1 AMY33719 [1,0,0,1,0,0|1,0,0]=3 632 B5R1.2 ClC1COC1 AMY34839 [1,0,0,1,0,0|2,0,0]=4 633 B5R1.2 FC1CNC1 AM20100512 [1,0,0,1,0,0|1,0,0]=3 634 B5R1.2 FC1CNC1 AMY12200 [1,0,0,1,0,0|1,0,0]=3 635 B5R1.2 FC1COC1 AM20020027 [1,0,0,1,0,0|2,0,0]=4 636 B5R1.2 IC1CCC1 AMY6180 [1,0,0,1,0,0|1,0,0]=3 637 B5R1.2 IC1COC1 AM20020026 [1,0,0,1,0,0|2,0,0]=4 638 B5R1.2 NC1CCC1 AMY2668 [1,0,0,1,0,0|1,0,0]=3 639 B5R1.2 NC1CCC1 AMY6177 [1,0,0,1,0,0|1,0,0]=3 640 B5R1.2 NC1CNC1 AMY6172 [1,0,0,1,0,0|1,0,0]=3 641 B5R1.2 NC1COC1 AM20020021 [1,0,0,1,0,0|2,0,0]=4 642 B5R1.2 NC1COC1 AM85383 [1,0,0,1,0,0|2,0,0]=4 643 B5R1.2 NC1CSC1 AM20120367 [1,0,0,1,0,0|2,0,0]=4 644 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,1,0,0|2,0,0]=4 645 B5R1.2 O=C1CCC1 AM20070575 [1,0,0,1,0,0|1,0,1]=4 646 B5R1.2 O=C1CNC1 AM20090048 [1,0,0,1,0,0|1,0,1]=4 647 B5R1.2 O=C1CNC1 AM20100329 [1,0,0,1,0,0|1,0,1]=4 648 B5R1.2 OC1CCC1 AM803645 [1,0,0,1,0,0|1,0,0]=3 649 B5R1.2 OC1CNC1 AM20100158 [1,0,0,1,0,0|1,0,0]=3 650 B5R1.2 OC1COC1 AM20020046 [1,0,0,1,0,0|2,0,0]=4 651 B5R1.2 OC1CSC1 AMY35636 [1,0,0,1,0,0|2,0,0]=4 652 B5R1.2 SC1COC1 AMY33758 [1,0,0,1,0,0|2,0,0]=4 653 B5R1.3 BrCC1CC1 AM90231 [1,0,0,1,0,0|1,0,0]=3 654 B5R1.3 BrC[C@H]1CO1 AMY31919 [1,0,0,1,0,0|2,0,0]=4 655 B5R1.3 C#CC1CC1 AM20100625 [1,0,0,1,0,0|0,0,2]=4 656 B5R1.3 CNC1CC1 AM20100262 [1,0,0,1,0,0|1,0,0]=3 657 B5R1.3 CNC1CC1 AM20100622 [1,0,0,1,0,0|1,0,0]=3 658 B5R1.3 ClCC1CC1 AM20100440 [1,0,0,1,0,0|1,0,0]=3 659 B5R1.3 ClC[C@H]1CO1 AM20090809 [1,0,0,1,0,0|2,0,0]=4 660 B5R1.3 ClC[C@H]1CO1 AM20090812 [1,0,0,1,0,0|2,0,0]=4 661 B5R1.3 ClC[C@H]1CO1 AMY40813 [1,0,0,1,0,0|2,0,0]=4 662 B5R1.3 ICC1CC1 AMY6123 [1,0,0,1,0,0|1,0,0]=3 663 B5R1.3 IC[C@H]1CO1 AMY5696 [1,0,0,1,0,0|2,0,0]=4 664 B5R1.3 N#CC1CC1 AMY3403 [1,0,0,1,0,0|0,0,2]=4 665 B5R1.3 NCC1CC1 AM61420 [1,0,0,1,0,0|0,0,0]=2 666 B5R1.3 NNC1CC1 AM10015 [1,0,0,1,0,0|1,0,0]=3 667 B5R1.3 O=CC1CC1 AM90182 [1,0,0,1,0,0|1,0,1]=4 668 B5R1.3 OCC1CC1 AM20090298 [1,0,0,1,0,0|1,0,0]=3 669 B5R1.3 OC[C@H]1CO1 AM20100365 [1,0,0,1,0,0|2,0,0]=4 670 B5R1.3 OC[C@H]1CO1 AM20100474 [1,0,0,1,0,0|2,0,0]=4 671 B5R1.3 OC[C@H]1CO1 AM81447 [1,0,0,1,0,0|2,0,0]=4 672 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|0,0,0]=2 673 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|0,0,0]=2 674 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [1,0,0,1,0,0|1,0,0]=3 675 B5R1.4 FC1CC1Br AMY5835 [1,0,0,1,0,0|2,0,0]=4 676 B5R1.4 N[C@@H]1CC1F AM84389 [1,0,0,1,0,0|1,0,0]=3 677 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [1,0,0,1,0,0|1,0,0]=3 678 B5R1.5 CC1(N)CC1 AM803556 [1,0,0,1,0,0|1,0,0]=3 679 B5R1.5 CC1(O)CC1 AMY38664 [1,0,0,1,0,0|1,0,0]=3 680 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,1,0,0|0,0,2]=4 681 B5R1.1 C1=CCNC1 AM9928 [1,0,0,1,0,0|0,0,2]=4 682 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,1,0,0|0,0,2]=4 683 B5R1.1 C1CCNC1 AMY10044 [1,0,0,1,0,0|0,0,0]=2 684 B5R1.1 C1CCOC1 AMY11079 [1,0,0,1,0,0|1,0,0]=3 685 B5R1.1 C1CCOC1 AMY14809 [1,0,0,1,0,0|1,0,0]=3 686 B5R1.1 C1CCOC1 AMY14877 [1,0,0,1,0,0|1,0,0]=3 687 B5R1.1 C1CNNC1 AMY28694 [1,0,0,1,0,0|1,0,0]=3 688 B5R1.1 C1CNOC1 AM803837 [1,0,0,1,0,0|1,0,0]=3 689 B5R1.1 C1COCN1 AMY42397 [1,0,0,1,0,0|1,0,0]=3 690 B5R1.1 C1CSCN1 AMY40189 [1,0,0,1,0,0|1,0,0]=3 691 B7R1.1 BrCC1CCCC1 AMY6992 [0,1,0,1,0,0|1,0,0]=3 692 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.1 BrC[C@H]1CCNC1 AM91583 [0,1,0,1,0,0|0,0,0]=2 697 B7R1.1 BrC[C@H]1CCNC1 AM94346 [0,1,0,1,0,0|0,0,0]=2 698 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,1,0,1,0,0|1,0,0]=3 699 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,1,0,1,0,0|0,0,0]=2 701 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,1,0,1,0,0|0,0,0]=2 703 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,1,0,0|1,0,0]=3 704 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,1,0,1,0,0|0,0,0]=2 706 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,1,0,1,0,0|0,0,0]=2 707 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,1,0,1,0,0|0,0,0]=2 708 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,1,0,1,0,0|1,0,0]=3 709 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,1,0,1,0,0|1,0,0]=3 710 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,1,0,1,0,0|0,0,0]=2 712 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,1,0,1,0,0|0,0,0]=2 713 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,1,0,1,0,0|0,0,0]=2 714 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,1,0,1,0,0|0,0,0]=2 715 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,1,0,1,0,0|0,0,0]=2 716 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,1,0,1,0,0|2,0,0]=4 718 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.1 ClC[C@H]1CCNC1 AM101443 [0,1,0,1,0,0|0,0,0]=2 720 B7R1.1 ClC[C@H]1CCNC1 AM91070 [0,1,0,1,0,0|0,0,0]=2 721 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,1,0,1,0,0|2,0,0]=4 722 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,1,0,1,0,0|2,0,0]=4 724 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,1,0,1,0,0|2,0,0]=4 725 B7R1.1 IC[C@H]1CCNC1 AM91584 [0,1,0,1,0,0|0,0,0]=2 726 B7R1.1 IC[C@H]1CCNC1 AM94098 [0,1,0,1,0,0|0,0,0]=2 727 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.1 N#C[C@@H]1CCNC1 AMY37510 [0,1,0,1,0,0|0,0,1]=3 729 B7R1.1 N#C[C@H]1CCNC1 AM20080099 [0,1,0,1,0,0|0,0,1]=3 730 B7R1.1 N#C[C@H]1CCNC1 AM20080100 [0,1,0,1,0,0|0,0,1]=3 731 B7R1.1 N#C[C@H]1CCNC1 AMY37559 [0,1,0,1,0,0|0,0,1]=3 732 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,1,0,0|1,0,0]=3 735 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,1,0,1,0,0|2,0,0]=4 736 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,1,0,1,0,0|2,0,0]=4 737 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,1,0,0|2,0,0]=4 738 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,1,0,0|2,0,0]=4 739 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,1,0,1,0,0|1,0,0]=3 740 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.1 NNC1CCCC1 AM803574 [0,1,0,1,0,0|2,0,0]=4 744 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [0,1,0,1,0,0|2,0,0]=4 745 B7R1.1 NN[C@H]1CCOC1 AM9768 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.1 NN[C@H]1CCOC1 AMY13662 [0,1,0,1,0,0|2,0,0]=4 747 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,1,0,0|2,0,0]=4 748 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,1,0,0|1,0,1]=4 749 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,1,0,1,0,0|0,0,1]=3 750 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,1,0,1,0,0|0,0,1]=3 751 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,1,0,1,0,0|1,0,1]=4 752 B7R1.1 OCC1CC=CC1 AM20090293 [0,1,0,1,0,0|1,0,1]=4 753 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,1,0,0|1,0,0]=3 754 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,1,0,0|2,0,0]=4 758 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,1,0,1,0,0|0,0,0]=2 761 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,1,0,1,0,0|0,0,0]=2 762 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,1,0,1,0,0|0,0,0]=2 763 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.1 SC[C@H]1CCNC1 AM98788 [0,1,0,1,0,0|0,0,0]=2 767 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,1,0,1,0,0|1,0,1]=4 768 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,1,0,1,0,0|1,0,1]=4 769 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,1,0,1,0,0|1,0,0]=3 770 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,1,0,1,0,0|1,0,0]=3 772 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,1,0,1,0,0|1,0,0]=3 773 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,1,0,1,0,0|1,0,0]=3 774 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,1,0,1,0,0|1,0,0]=3 775 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,1,0,1,0,0|1,0,0]=3 776 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,1,0,1,0,0|1,0,0]=3 777 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,1,0,1,0,0|1,0,0]=3 778 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,1,0,1,0,0|1,0,0]=3 779 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,1,0,1,0,0|1,0,0]=3 781 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,1,0,0|1,0,0]=3 785 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,1,0,0|2,0,0]=4 787 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,1,0,1,0,0|2,0,0]=4 788 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,1,0,0|0,0,1]=3 789 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,1,0,0|1,0,0]=3 790 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,1,0,0|1,0,0]=3 791 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,1,0,0|2,0,0]=4 792 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,1,0,0|0,0,1]=3 794 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,1,0,1,0,0|1,0,1]=4 795 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,1,0,1,0,0|0,0,0]=2 796 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,1,0,0|1,0,0]=3 797 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,1,0,1,0,0|0,0,0]=2 798 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,1,0,0|1,0,0]=3 799 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,1,0,0|1,0,0]=3 801 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,1,0,0|1,0,0]=3 802 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,1,0,0|1,0,0]=3 808 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,1,0,0|1,0,1]=4 813 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,1,0,0|1,0,1]=4 814 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,1,0,0|2,0,0]=4 815 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,1,0,1,0,0|0,0,1]=3 816 B7R1.3 BrC1CCNCC1 AM101554 [0,1,0,1,0,0|1,0,0]=3 817 B7R1.3 BrC1CCNCC1 AM20100339 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.3 BrC1CCNCC1 AM90402 [0,1,0,1,0,0|1,0,0]=3 819 B7R1.3 BrC1CCOCC1 AM90079 [0,1,0,1,0,0|2,0,0]=4 820 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,1,0,1,0,0|1,0,0]=3 821 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,1,0,1,0,0|1,0,0]=3 822 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.3 C=C1CCNCC1 AMY5962 [0,1,0,1,0,0|0,0,2]=4 824 B7R1.3 C=C1CCNCC1 AMY6101 [0,1,0,1,0,0|0,0,2]=4 825 B7R1.3 C=C1CCNCC1 AMY6167 [0,1,0,1,0,0|0,0,2]=4 826 B7R1.3 CC1=CCNCC1 AMY33784 [0,1,0,1,0,0|0,0,1]=3 827 B7R1.3 CC1=CCOCC1 AMY5953 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.3 CC1CCNCC1 AMY23280 [0,1,0,1,0,0|0,0,0]=2 829 B7R1.3 CC1CCOCC1 AMY6168 [0,1,0,1,0,0|1,0,0]=3 830 B7R1.3 CC1SCCCS1 AMY24701 [0,1,0,1,0,0|2,0,0]=4 831 B7R1.3 CN1CCCCC1 AM20100531 [0,1,0,1,0,0|2,0,0]=4 832 B7R1.3 CN1CCNCC1 AM81360 [0,1,0,1,0,0|1,0,0]=3 833 B7R1.3 CN1CCOCC1 AMY14818 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,1,0,1,0,0|0,0,0]=2 835 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,1,0,1,0,0|1,0,0]=3 836 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,1,0,1,0,0|1,0,0]=3 838 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,1,0,1,0,0|1,0,0]=3 839 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,1,0,1,0,0|0,0,0]=2 840 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,1,0,1,0,0|0,0,0]=2 841 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,1,0,1,0,0|0,0,0]=2 842 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,1,0,1,0,0|0,0,0]=2 843 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,1,0,1,0,0|0,0,0]=2 844 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,1,0,1,0,0|0,0,0]=2 845 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,1,0,1,0,0|0,0,0]=2 846 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,1,0,1,0,0|0,0,0]=2 847 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,1,0,1,0,0|0,0,0]=2 848 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,1,0,1,0,0|0,0,0]=2 849 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,1,0,1,0,0|1,0,0]=3 850 B7R1.3 C[C@H]1COCCN1 AM803755 [0,1,0,1,0,0|1,0,0]=3 851 B7R1.3 C[C@H]1COCCN1 AM804311 [0,1,0,1,0,0|1,0,0]=3 852 B7R1.3 C[C@H]1COCCN1 AM806455 [0,1,0,1,0,0|1,0,0]=3 853 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,1,0,1,0,0|1,0,0]=3 854 B7R1.3 ClC1CCCCC1 AM90219 [0,1,0,1,0,0|2,0,0]=4 855 B7R1.3 ClC1CCNCC1 AM100920 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.3 ClC1CCNCC1 AM20100323 [0,1,0,1,0,0|1,0,0]=3 857 B7R1.3 ClC1CCOCC1 AM794 [0,1,0,1,0,0|2,0,0]=4 858 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,1,0,1,0,0|2,0,0]=4 859 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,1,0,1,0,0|1,0,0]=3 860 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.3 FC1CCNCC1 AM20100405 [0,1,0,1,0,0|1,0,0]=3 864 B7R1.3 FC1CCOCC1 AM100580 [0,1,0,1,0,0|2,0,0]=4 865 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,1,0,1,0,0|1,0,0]=3 866 B7R1.3 IC1CCNCC1 AM101380 [0,1,0,1,0,0|1,0,0]=3 867 B7R1.3 IC1CCNCC1 AM94352 [0,1,0,1,0,0|1,0,0]=3 868 B7R1.3 IC1CCOCC1 AM20090312 [0,1,0,1,0,0|2,0,0]=4 869 B7R1.3 NC1CCCCC1 AM802905 [0,1,0,1,0,0|2,0,0]=4 870 B7R1.3 NC1CCNCC1 AM85323 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.3 NC1CCNCC1 AM85335 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.3 NC1CCOCC1 AM20090495 [0,1,0,1,0,0|2,0,0]=4 873 B7R1.3 NC1CCOCC1 AM20100013 [0,1,0,1,0,0|2,0,0]=4 874 B7R1.3 NC1CCOCC1 AM669 [0,1,0,1,0,0|2,0,0]=4 875 B7R1.3 NC1CCSCC1 AMY32230 [0,1,0,1,0,0|2,0,0]=4 876 B7R1.3 NC1CCSCC1 AMY3238 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.3 NN1CCNCC1 AM20090429 [0,1,0,1,0,0|2,0,0]=4 878 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,1,0,1,0,0|2,0,0]=4 885 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,1,0,1,0,0|2,0,0]=4 886 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,1,0,1,0,0|2,0,0]=4 888 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.3 O=C1CCCNC1 AM20100504 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.3 O=C1CCCNC1 AM81341 [0,1,0,1,0,0|1,0,1]=4 891 B7R1.3 O=C1CCNCC1 AM100807 [0,1,0,1,0,0|1,0,1]=4 892 B7R1.3 O=C1CCNCC1 AM20100060 [0,1,0,1,0,0|1,0,1]=4 893 B7R1.3 O=C1CCNCC1 AM803879 [0,1,0,1,0,0|1,0,1]=4 894 B7R1.3 O=C1CNCCN1 AM20100386 [0,1,0,1,0,0|1,0,1]=4 895 B7R1.3 O=C1CNCCO1 AM62713 [0,1,0,1,0,0|1,0,1]=4 896 B7R1.3 OC1CCNCC1 AM20100322 [0,1,0,1,0,0|1,0,0]=3 897 B7R1.3 OC1CCNCC1 AMY24233 [0,1,0,1,0,0|1,0,0]=3 898 B7R1.3 OC1CCOCC1 AM20090170 [0,1,0,1,0,0|2,0,0]=4 899 B7R1.3 OC1CCSCC1 AMY37357 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,1,0,1,0,0|2,0,0]=4 901 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,1,0,1,0,0|1,0,0]=3 906 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,1,0,1,0,0|1,0,0]=3 907 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.3 SC1CCCCC1 AMY11243 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.3 SC1CCOCC1 AM100476 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,1,0,1,0,0|1,0,0]=3 911 B7R1.4 CC1CNCC1O AM806548 [0,1,0,1,0,0|0,0,0]=2 912 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.4 F[C@H]1CNC[C@@H]1F AMY23623 [0,1,0,1,0,0|1,0,0]=3 915 B7R1.4 F[C@H]1CNC[C@H]1F AMY34058 [0,1,0,1,0,0|1,0,0]=3 916 B7R1.4 NC1CCCC1N AMY40491 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,1,0,0|2,0,0]=4 918 B7R1.4 NC1COCC1F AMY23754 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.4 NC1COCC1O AM803216 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,1,0,0|2,0,0]=4 921 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,1,0,0|2,0,0]=4 922 B7R1.4 N[C@@H]1COC[C@@H]1N AMY16787 [0,1,0,1,0,0|2,0,0]=4 923 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,1,0,1,0,0|2,0,0]=4 924 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,1,0,1,0,0|2,0,0]=4 926 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,1,0,0|2,0,0]=4 927 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,1,0,0|1,0,1]=4 928 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,1,0,0|1,0,1]=4 929 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,1,0,1,0,0|2,0,0]=4 930 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,1,0,0|1,0,1]=4 931 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,1,0,0|1,0,1]=4 932 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,1,0,0|2,0,0]=4 934 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,1,0,1,0,0|1,0,0]=3 935 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,1,0,1,0,0|1,0,0]=3 936 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,1,0,1,0,0|1,0,0]=3 937 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,1,0,1,0,0|1,0,0]=3 938 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,1,0,1,0,0|2,0,0]=4 940 B7R1.6 CCOC1CNC1 AM804015 [0,1,0,1,0,0|2,0,0]=4 941 B7R1.6 COCC1CNC1 AM20120364 [0,1,0,1,0,0|2,0,0]=4 942 B7R1.6 COCC1CNC1 AMY33648 [0,1,0,1,0,0|2,0,0]=4 943 B7R1.6 N#CCC1CNC1 AMY34671 [0,1,0,1,0,0|0,0,2]=4 944 B7R1.6 NCCC1CCC1 AMY34747 [0,1,0,1,0,0|0,0,0]=2 945 B7R1.6 NCCC1COC1 AMY19670 [0,1,0,1,0,0|0,0,0]=2 946 B7R1.6 NCCN1CCC1 AMY34670 [0,1,0,1,0,0|1,0,0]=3 947 B7R1.6 OCCC1CCC1 AM807009 [0,1,0,1,0,0|1,0,0]=3 948 B7R1.6 OCCC1COC1 AMY19718 [0,1,0,1,0,0|1,0,0]=3 949 B7R1.6 OCCN1CCC1 AM806453 [0,1,0,1,0,0|2,0,0]=4 950 B7R1.6 OCCN1CCC1 AMY37413 [0,1,0,1,0,0|2,0,0]=4 951 B7R1.8 NCC1CCC1F AMY35801 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [0,1,0,1,0,0|0,0,0]=2 953 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,1,0,1,0,0|1,0,1]=4 954 B7R1.10 C=C1CC(CN)C1 AM84290 [0,1,0,1,0,0|0,0,2]=4 955 B7R1.10 C=C1CC(CO)C1 AM84289 [0,1,0,1,0,0|1,0,1]=4 956 B7R1.10 CC1CC(CN)C1 AM806550 [0,1,0,1,0,0|0,0,0]=2 957 B7R1.10 CCN1CC(O)C1 AM803775 [0,1,0,1,0,0|2,0,0]=4 958 B7R1.10 CN1CC(CBr)C1 AM806288 [0,1,0,1,0,0|2,0,0]=4 959 B7R1.10 CN1CC(CN)C1 AMY34321 [0,1,0,1,0,0|1,0,0]=3 960 B7R1.10 CN1CC(CO)C1 AMY35664 [0,1,0,1,0,0|2,0,0]=4 961 B7R1.10 CNC1CC(O)C1 AMY33649 [0,1,0,1,0,0|1,0,0]=3 962 B7R1.10 CNC1CN(C)C1 AM20090464 [0,1,0,1,0,0|1,0,0]=3 963 B7R1.10 COC1CC(N)C1 AM807010 [0,1,0,1,0,0|0,0,0]=2 964 B7R1.10 COC1CC(O)C1 AMY41129 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.10 CO[C@H]1C[C@H](N)C1 AMY19617 [0,1,0,1,0,0|0,0,0]=2 966 B7R1.10 N#CC1CC(F)C1 AMY35732 [0,1,0,1,0,0|1,0,1]=4 967 B7R1.10 N#CC1CC(N)C1 AMY33682 [0,1,0,1,0,0|0,0,1]=3 968 B7R1.10 N#CC1CC(O)C1 AMY34857 [0,1,0,1,0,0|1,0,1]=4 969 B7R1.10 N#C[C@H]1C[C@H](O)C1 AMY35861 [0,1,0,1,0,0|1,0,1]=4 970 B7R1.10 NC1CC(CO)C1 AMY32100 [0,1,0,1,0,0|0,0,0]=2 971 B7R1.10 NCC1CC(O)C1 AMY33634 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.10 NC[C@H]1C[C@@H](O)C1 AM20070628 [0,1,0,1,0,0|1,0,0]=3 973 B7R1.10 NC[C@H]1C[C@H](F)C1 AMY34291 [0,1,0,1,0,0|1,0,0]=3 974 B7R1.10 N[C@H]1C[C@@H](CO)C1 AM807011 [0,1,0,1,0,0|0,0,0]=2 975 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,1,0,1,0,0|1,0,1]=4 976 B7R1.10 O=C1CC(CF)C1 AM84266 [0,1,0,1,0,0|1,0,1]=4 977 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,1,0,1,0,0|1,0,1]=4 978 B7R1.10 O=CC1CC(F)C1 AM85365 [0,1,0,1,0,0|1,0,1]=4 979 B7R1.10 OCC1CC(F)C1 AM85531 [0,1,0,1,0,0|1,0,0]=3 980 B7R1.10 OCC1CC(O)C1 AM85526 [0,1,0,1,0,0|1,0,0]=3 981 B7R1.21 COCC1(N)CC1 AMY38195 [0,1,0,1,0,0|2,0,0]=4 982 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,1,0,1,0,0|1,0,1]=4 983 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,1,0,1,0,0|1,0,1]=4 984 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,1,0,1,0,0|1,0,1]=4 985 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,1,0,1,0,0|1,0,0]=3 986 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,1,0,1,0,0|1,0,1]=4 987 B7R1.25 CC1(CBr)COC1 AM20020048 [0,1,0,1,0,0|2,0,0]=4 988 B7R1.25 CC1(CCl)COC1 AM20020049 [0,1,0,1,0,0|2,0,0]=4 989 B7R1.25 CC1(CI)COC1 AM20020007 [0,1,0,1,0,0|2,0,0]=4 990 B7R1.25 CC1(CN)COC1 AM20020018 [0,1,0,1,0,0|2,0,0]=4 991 B7R1.25 CC1(CO)COC1 AM20020031 [0,1,0,1,0,0|2,0,0]=4 992 B7R1.25 COC1(C)CNC1 AM20110261 [0,1,0,1,0,0|2,0,0]=4 993 B7R1.25 C[C@]1(CO)CCN1 AMY35790 [0,1,0,1,0,0|0,0,0]=2 994 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [0,1,0,1,0,0|1,0,0]=3 995 B7R1.25 NCC1(F)CCC1 AMY34316 [0,1,0,1,0,0|2,0,0]=4 996 B7R1.25 NCC1(N)CCC1 AMY6115 [0,1,0,1,0,0|2,0,0]=4 997 B7R1.25 NCC1(O)CCC1 AMY34521 [0,1,0,1,0,0|2,0,0]=4 998 B7R1.12 CC1CC1C(=O)O AM803649 [0,1,0,1,0,0|1,0,1]=4 999 B7R1.12 CC1CC1C(N)=O AMY5644 [0,1,0,1,0,0|0,0,1]=3 1000 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,1,0,1,0,0|1,0,1]=4 1001 B7R1.16 CC1(C)CC(Br)C1 AMY39476 [0,1,0,1,0,0|1,0,0]=3 1002 B7R1.16 CC1(C)CC(N)C1 AMY34794 [0,1,0,1,0,0|0,0,0]=2 1003 B7R1.16 C[C@]1(N)C[C@H](O)C1 AMY34064 [0,1,0,1,0,0|1,0,0]=3 1004 B7R1.16 NC1CC(F)(F)C1 AM804176 [0,1,0,1,0,0|1,0,0]=3 1005 B7R1.16 NC1CC(F)(F)C1 AM806982 [0,1,0,1,0,0|1,0,0]=3 1006 B7R1.16 OC1CC(F)(F)C1 AMY14724 [0,1,0,1,0,0|2,0,0]=4 1007 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,1,0,1,0,0|1,0,1]=4 1008 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,1,0,1,0,0|1,0,1]=4 1009 B7R1.18 CN(C)C1CNC1 AM20120352 [0,1,0,1,0,0|1,0,0]=3 1010 B7R1.18 CN(C)C1CNC1 AM803080 [0,1,0,1,0,0|1,0,0]=3 1011 B7R1.18 C[C@@H](N)C1CCC1 AM807006 [0,1,0,1,0,0|2,0,0]=4 1012 B7R1.18 C[C@H](N)C1CCC1 AM807007 [0,1,0,1,0,0|2,0,0]=4 1013 B7R1.18 C[C@H](N)C1CCC1 AM807008 [0,1,0,1,0,0|2,0,0]=4 1014 B7R1.18 C[C@H](N)C1COC1 AMY35769 [0,1,0,1,0,0|2,0,0]=4 1015 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [0,1,0,1,0,0|2,0,0]=4 1016 B7R1.18 C[C@H](O)C1CNC1 AMY34523 [0,1,0,1,0,0|1,0,0]=3 1017 B7R1.18 C[C@H](O)C1COC1 AMY35807 [0,1,0,1,0,0|2,0,0]=4 1018 B7R1.19 C[C@H](N)C1(C)CC1 AMY37388 [0,1,0,1,0,0|2,0,0]=4 1019 B7R1.23 OC[C@H]1CC1(F)F AMY17963 [0,1,0,1,0,0|2,0,0]=4 1020 B7R1.7 CCOC[C@H]1CO1 AM20100065 [0,1,0,1,0,0|2,0,0]=4 1021 B7R1.7 OCC#CC1CC1 AMY34844 [0,1,0,1,0,0|1,0,1]=4 1022 B7R1.14 CC1(C)CCCN1 AM804148 [0,1,0,1,0,0|0,0,0]=2 1023 B7R1.14 CC1(C)CCCN1 AMY17888 [0,1,0,1,0,0|0,0,0]=2 1024 B7R1.14 CC1(C)CCNC1 AM20090533 [0,1,0,1,0,0|0,0,0]=2 1025 B7R1.14 CC1(C)CCNC1 AMY33663 [0,1,0,1,0,0|0,0,0]=2 1026 B7R1.14 CC1(C)NCCO1 AMY42458 [0,1,0,1,0,0|0,0,0]=2 1027 B7R1.14 CC1(C)NCCS1 AMY2745 [0,1,0,1,0,0|0,0,0]=2 1028 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,1,0,0|1,0,0]=3 1029 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,1,0,0|1,0,0]=3 1030 B7R1.14 C[C@@]1(O)CCNC1 AMY34411 [0,1,0,1,0,0|0,0,0]=2 1031 B7R1.14 C[C@]1(N)CCNC1 AM20080696 [0,1,0,1,0,0|0,0,0]=2 1032 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [0,1,0,1,0,0|1,0,0]=3 1033 B7R1.14 C[C@]1(O)CCNC1 AM20080194 [0,1,0,1,0,0|0,0,0]=2 1034 B7R1.14 C[C@]1(O)CCNC1 AMY19290 [0,1,0,1,0,0|0,0,0]=2 1035 B7R1.14 C[Si]1(C)CCCC1 AMY42241 [0,1,0,1,0,0|1,1,0]=4 1036 B7R1.14 FC1(F)CCCC1 AMY5924 [0,1,0,1,0,0|2,0,0]=4 1037 B7R1.14 FC1(F)CCNC1 AM20080456 [0,1,0,1,0,0|1,0,0]=3 1038 B7R1.14 FC1(F)CCNC1 AMY15564 [0,1,0,1,0,0|1,0,0]=3 1039 B7R1.26 CC(C)(N)C1CC1 AM806463 [0,1,0,1,0,0|1,0,0]=3 1040 B7R2.11 C1NC2CC1C2 AM803737 [0,0,0,2,0,0|0,0,0]=2 1041 B7R2.11 C1NC2CC1C2 AMY33557 [0,0,0,2,0,0|0,0,0]=2 1042 B7R2.13 C1CC2CC2N1 AM803615 [0,0,0,2,0,0|0,0,0]=2 1043 B7R2.13 C1CC2OC2C1 AM20090363 [0,0,0,2,0,0|2,0,0]=4 1044 B7R2.13 C1NCC2CC12 AM803636 [0,0,0,2,0,0|0,0,0]=2 1045 B7R2.13 C1NCC2CC12 AMY5587 [0,0,0,2,0,0|0,0,0]=2 1046 B7R2.16 C1CC12CNC2 AMY35007 [0,0,0,2,0,0|2,0,0]=4 1047 B7R2.5 NC12CC(C1)C2 AMY14689 [0,0,0,2,0,0|0,0,0]=2 1048 B7R2.5 OC12CC(C1)C2 AMY35835 [0,0,0,2,0,0|1,0,0]=3