0 B5R0.3 C=CC(=O)CBr AMY31126 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.3 C=CC(O)C=C AMY14244 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.3 C=C[C@@H](O)CC AMY851 [0,0,0,0,0,0|0,0,0]=0 3 B5R0.3 C=C[C@H](N)CO AMY14650 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CC(CBr)CBr AMY21213 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CC(CI)CI AMY32062 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(=O)CC AMY11060 [0,0,0,0,0,0|0,0,4]=4 7 B5R0.3 CCC(=O)OC AMY21940 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.3 CCC(N)CC AMY4054 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 CCN(C)CC AMY13336 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 CCN(O)CC AMY25658 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 CC[C@@H](N)CO AM85835 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CC[C@@H](O)CN AMY6653 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.3 CC[C@@H](O)CO AMY40578 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CC[C@H](C)CBr AMY28688 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 CC[C@H](C)NN AM803011 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 CC[C@H](C)NN AM9772 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CC[C@H](N)CO AM85834 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 CC[C@H](N)CO AM85988 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.3 CC[C@H](O)CO AMY40584 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.3 CC\C(C)=N\O AM90385 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 COC(=O)C=O AMY1633 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.3 CO[C@@H](C)CN AMY21775 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 ClCC(Cl)CCl AMY22833 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 NC(CO)CO AM20100310 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 NCC(O)CN AM20100500 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.3 NC[C@H](F)CO AMY34391 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 NC[C@H](O)CCl AMY31075 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.3 NC[C@H](O)CO AM20100501 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.3 NC[C@H](O)CO AM20100602 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.3 NC[C@H](O)CO AMY18546 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.3 O=CC(Br)C=O AM20090162 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 OC[C@H](O)CCl AM81448 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.3 OC[C@H](O)CCl AM81449 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.3 OC[C@H](O)CCl AMY21866 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 C#C[C@@H](C)O AMY24232 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 C#C[C@H](C)Br AMY12092 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 C#C[C@H](C)N AM806670 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.1 C#C[C@H](C)O AMY34392 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.1 C=C(C)C=O AMY28760 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 C=C(C)CBr AM85592 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 C=C(C)CN AMY13356 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 C=C(Cl)CCl AMY4111 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 C=C=C(C)C AMY42296 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C=CC(=C)C AMY37001 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 C=CC(=O)Cl AMY18873 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 C=CC(=O)[O-] AMY3817 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 C=C[C@H](C)Cl AMY617 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 C=C[C@H](C)O AMY1257 [1,0,0,0,0,0|0,0,0]=1 52 B4R0.1 C=C[N+](=O)[O-] AMY36706 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CC(C)=CBr AM85707 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CC(C)CBr AMY25783 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC(C)NN AM20090002 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 CC(C)NN AMY202003297 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CC(C)ON AM90376 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 CCB(O)O AM80871 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 CCC(=N)N AM803843 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 CCC(=O)Cl AMY4112 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.1 CCC(=O)O AMY4114 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 CCC(=O)[O-] AMY22300 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.1 CCC(=O)[O-] AMY37013 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.1 CCC(C)[O-] AMY22246 [1,0,0,0,0,0|0,0,2]=3 65 B4R0.1 CCC(N)=S AMY39288 [1,0,0,0,0,0|1,1,1]=4 66 B4R0.1 CCN(C)C AMY13339 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CC[C@H](C)O AMY11001 [1,0,0,0,0,0|0,0,1]=2 68 B4R0.1 CC[S@](=O)[O-] AMY15674 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CN(C)C=S AMY40664 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CNC(C)C AMY13353 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 COC(Cl)Cl AMY31937 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 C[C@H](Br)C#N AMY39192 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 C[C@H](N)C#N AM9634 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 C[C@H](N)CN AMY3672 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 C[C@H](N)CO AM20090557 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 C[C@H](N)CO AM20100507 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 C[C@H](O)CN AM20090353 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.1 C[C@H](O)CN AM20100779 [1,0,0,0,0,0|1,0,1]=3 82 B4R0.1 C[C@H](O)CN AM81450 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.1 FC(F)CCl AMY6873 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 FC(F)CI AMY20040 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 F[C@@H](Br)CBr AMY6863 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 NCC(=O)O AM81781 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 NCC(F)F AMY7132 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.1 O=CC(=O)O AMY40947 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 OCC(F)F AMY3957 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 [Li]CC(C)C AMY14929 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.2 BrCCCBr AMY25527 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 C#CCCBr AMY1272 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.2 C#CCOC AMY1246 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.2 C#COCC AMY33551 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.2 C=CCCCl AMY11185 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.2 C=CCCO AMY14291 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.2 C=CCNC AMY13350 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.2 C=CCNN AM806419 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 C=CCOC AM20100534 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.2 C=CCON AM90375 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.2 C=NCC#N AMY24166 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 CCCCN AMY21914 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.2 CCCNN AM9771 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 CCNCC AMY25752 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.2 CCPCC AMY11725 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.2 CC\C=C\Br AMY796 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.2 CNCC#N AM20090317 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.2 CNCCCl AM803928 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 CNCCF AMY202003232 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.2 CNCCO AMY32697 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.2 COCCCl AMY25739 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 COCCN AM808206 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.2 CSCCCl AMY15533 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 CSCCN AMY33509 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 CSCCO AMY19250 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 C\C=C\CCl AMY618 [1,0,0,0,0,0|1,0,2]=4 118 B4R0.2 C\C=C\CO AMY21936 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.2 ClCCCBr AMY40180 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 ClCCCCl AMY22013 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 ClCCCI AMY25762 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 FCCCBr AMY28674 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 N#CCCCl AMY21819 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 NCCCBr AM20100225 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.2 NCCCN AMY21886 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.2 NCCON AMY10143 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 NNCCO AM20080045 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.2 OCCCBr AM20100533 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 OCCCCl AMY9478 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.2 OCCCF AM1014 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.2 SCCCBr AM806637 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 [Li]CCCC AMY14790 [1,0,0,0,0,0|1,0,1]=3 133 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.1 C=CC(=O)NCC AMY36703 [0,1,0,0,0,0|0,0,2]=3 135 B6R0.1 C=CC(=O)OCC AMY40211 [0,1,0,0,0,0|0,0,2]=3 136 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.1 COC(=O)\C=C\I AMY21721 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.1 C[C@H](CO)CCO AMY37676 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,1,0,0,0,0|1,0,2]=4 143 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.1 OCC[C@H](O)CO AMY14876 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.1 OCC[C@H](O)CO AMY6061 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.3 C=C(F)C(=O)OC AM20120633 [0,1,0,0,0,0|1,0,2]=4 147 B6R0.3 C=C(I)[C@H](C)CI AMY6046 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 C=CC(=O)N(C)C AM84856 [0,1,0,0,0,0|1,0,2]=4 149 B6R0.3 C=CN(C)C(C)=O AMY3934 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 CCC(=O)C(=O)O AM90224 [0,1,0,0,0,0|1,0,2]=4 157 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,1,0,0,0,0|0,0,3]=4 159 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.3 CCN(O)C(C)=O AMY33549 [0,1,0,0,0,0|1,0,1]=3 161 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,1,0,0,0,0|2,0,0]=3 169 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,1,0,0,0,0|1,1,0]=3 172 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.3 NC(=O)C(N)CO AM806435 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.8 C#C[C@@](C)(O)CC AMY4108 [0,1,0,0,0,0|0,0,2]=3 202 B6R0.8 C=CS(=O)(=O)CC AMY31560 [0,1,0,0,0,0|1,0,1]=3 203 B6R0.8 CCC(Br)(Br)C=O AMY2945 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.8 CC[C@](C)(N)CN AMY40943 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.8 CC[C@](C)(O)CN AMY24170 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.9 C=C[C@@H](CC)CO AMY36984 [0,1,0,0,0,0|0,0,0]=1 207 B6R0.9 CCC(CC)NN AM10003 [0,1,0,0,0,0|1,0,2]=4 208 B6R0.9 CCC(CC)NN AM10008 [0,1,0,0,0,0|1,0,2]=4 209 B6R0.9 CCC(CO)CO AM10034 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.9 COC(CCl)OC AMY3314 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.9 COC(OC)OC AMY41181 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.9 OCC(CO)CO AM20100186 [0,1,0,0,0,0|2,0,1]=4 213 B6R1.2 BrC1=CCCC1 AMY38286 [0,0,0,1,0,0|1,0,2]=4 214 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,1,0,0|1,0,2]=4 215 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,1,0,0|2,0,1]=4 216 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,1,0,0|2,0,1]=4 217 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,1,0,0|2,0,1]=4 221 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,1,0,0|1,0,2]=4 223 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,1,0,0|1,0,2]=4 224 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,1,0,0|2,0,1]=4 226 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,1,0,0|2,0,1]=4 227 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,1,0,0|2,0,1]=4 229 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,1,0,0|2,0,1]=4 232 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,1,0,0|1,0,2]=4 235 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,1,0,0|2,0,1]=4 237 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,1,0,0|2,0,1]=4 240 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,1,0,0|2,0,1]=4 241 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,1,0,0|2,0,1]=4 242 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,1,0,0|2,0,1]=4 243 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,1,0,0|2,0,1]=4 244 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,1,0,0|2,0,1]=4 245 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,1,0,0|2,0,1]=4 246 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,1,0,0|1,0,2]=4 248 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,1,0,0|2,0,1]=4 249 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,1,0,0|2,0,1]=4 250 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,1,0,0|2,0,1]=4 251 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,1,0,0|2,0,1]=4 252 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,1,0,0|2,0,1]=4 253 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,1,0,0|2,0,1]=4 254 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,1,0,0|2,0,1]=4 255 B6R1.2 NC1CC=CC1 AM20120323 [0,0,0,1,0,0|1,0,2]=4 256 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,1,0,0|1,0,2]=4 257 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,1,0,0|2,0,1]=4 259 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,1,0,0|2,0,1]=4 260 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,1,0,0|2,0,1]=4 261 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,1,0,0|2,0,1]=4 263 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,1,0,0|2,0,1]=4 264 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,1,0,0|2,0,1]=4 265 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,1,0,0|2,0,1]=4 266 B6R1.2 O=C1C=CCC1 AM61702 [0,0,0,1,0,0|0,0,2]=3 267 B6R1.2 O=C1C=CCO1 AM20100212 [0,0,0,1,0,0|1,0,2]=4 268 B6R1.2 OC1=NNC=C1 AMY4993 [0,0,0,1,0,0|2,0,1]=4 269 B6R1.2 OC1=NOC=C1 AMY12303 [0,0,0,1,0,0|2,0,1]=4 270 B6R1.2 OC1CC=CC1 AMY9178 [0,0,0,1,0,0|0,0,2]=3 271 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,1,0,0|0,0,2]=3 272 B6R1.2 ON1C=CC=N1 AMY34612 [0,0,0,1,0,0|2,0,1]=4 273 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,1,0,0|1,0,1]=3 274 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,1,0,0|2,0,0]=3 275 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,1,0,0|1,0,1]=3 276 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,1,0,0|1,0,1]=3 277 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,1,0,0|1,0,1]=3 278 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,1,0,0|1,0,1]=3 279 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,1,0,0|1,0,1]=3 280 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,1,0,0|2,0,0]=3 281 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,1,0,0|1,0,1]=3 282 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,1,0,0|1,0,1]=3 283 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,1,0,0|1,0,1]=3 284 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,1,0,0|1,0,1]=3 285 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,1,0,0|1,1,1]=4 286 B6R1.6 BrCC1CCC1 AM20070598 [0,0,0,1,0,0|2,0,1]=4 287 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,0,0,1,0,0|1,0,1]=3 288 B6R1.6 ClCC1CCC1 AMY31015 [0,0,0,1,0,0|2,0,1]=4 289 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,0,0,1,0,0|1,0,1]=3 290 B6R1.6 ICC1CCC1 AMY34464 [0,0,0,1,0,0|2,0,1]=4 291 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,0,0,1,0,0|1,0,1]=3 292 B6R1.6 N#CC1CCC1 AM20070614 [0,0,0,1,0,0|2,0,1]=4 293 B6R1.6 N#C[C@H]1CCN1 AMY35836 [0,0,0,1,0,0|2,0,1]=4 294 B6R1.6 NCC1CCC1 AM20070613 [0,0,0,1,0,0|2,0,1]=4 295 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,0,0,1,0,0|2,0,1]=4 296 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,0,0,1,0,0|1,0,1]=3 297 B6R1.6 NNC1CCC1 AM9769 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.6 NNC1CCC1 AM9783 [0,0,0,1,0,0|3,0,0]=4 299 B6R1.6 O=CC1CCC1 AM90197 [0,0,0,1,0,0|2,0,0]=3 300 B6R1.6 O=CC1COC1 AMY38489 [0,0,0,1,0,0|3,0,0]=4 301 B6R1.6 OCC1CCC1 AM90211 [0,0,0,1,0,0|2,0,1]=4 302 B6R1.6 OC[C@H]1CCO1 AM807004 [0,0,0,1,0,0|1,0,1]=3 303 B6R1.7 C#CC1(N)CC1 AMY34606 [0,0,0,1,0,0|1,0,2]=4 304 B6R1.7 CC1(CN)CC1 AM806561 [0,0,0,1,0,0|2,0,1]=4 305 B6R1.7 CC1(CN)CC1 AMY19193 [0,0,0,1,0,0|2,0,1]=4 306 B6R1.7 CC1(CO)CC1 AM803621 [0,0,0,1,0,0|2,0,1]=4 307 B6R1.7 N#CC1(Br)CC1 AMY18834 [0,0,0,1,0,0|2,0,1]=4 308 B6R1.7 N#CC1(N)CC1 AM20080205 [0,0,0,1,0,0|2,0,1]=4 309 B6R1.7 NC1(CO)CC1 AM81133 [0,0,0,1,0,0|2,0,1]=4 310 B6R1.7 NC1(CO)CC1 AMY5592 [0,0,0,1,0,0|2,0,1]=4 311 B6R1.7 NCC1(F)CC1 AMY202003206 [0,0,0,1,0,0|2,0,1]=4 312 B6R1.7 NCC1(O)CC1 AM804312 [0,0,0,1,0,0|1,0,1]=3 313 B6R1.8 CC1CC1CN AM806562 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.8 CC1CC1CO AM804126 [0,0,0,1,0,0|2,0,1]=4 315 B3R0.1 BrCCBr AMY25519 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.1 C=CCN AMY22118 [2,0,0,0,0,0|1,0,0]=3 317 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|0,0,0]=2 318 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|2,0,0]=4 319 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|2,0,0]=4 320 B3R0.1 CCON AM90373 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 C\C=C\Br AMY19968 [2,0,0,0,0,0|1,0,1]=4 322 B3R0.1 ClCCBr AMY25520 [2,0,0,0,0,0|2,0,0]=4 323 B3R0.1 ClCCCl AMY33455 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.1 FCCBr AMY39418 [2,0,0,0,0,0|2,0,0]=4 325 B3R0.1 FCCI AM20100746 [2,0,0,0,0,0|2,0,0]=4 326 B3R0.1 NCCBr AM20090316 [2,0,0,0,0,0|2,0,0]=4 327 B3R0.1 NCCCl AMY3602 [2,0,0,0,0,0|2,0,0]=4 328 B3R0.1 NCCF AM20100176 [2,0,0,0,0,0|2,0,0]=4 329 B3R0.1 NCCS AMY202100105 [2,0,0,0,0,0|1,1,0]=4 330 B3R0.1 OCCBr AMY39504 [2,0,0,0,0,0|1,0,0]=3 331 B3R0.1 OCCF AMY25659 [2,0,0,0,0,0|1,0,0]=3 332 B3R0.1 OCCO AMY22336 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.2 C=C(C)Br AMY955 [2,0,0,0,0,0|1,0,1]=4 334 B3R0.2 C=C(C)[Mg+] AMY1042 [2,0,0,0,0,0|1,0,1]=4 335 B3R0.2 CC(=O)O AMY21906 [2,0,0,0,0,0|1,0,1]=4 336 B3R0.2 CC(=O)O AMY41276 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.2 CC(C)Br AMY37129 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.2 CC(C)O AMY11029 [2,0,0,0,0,0|0,0,1]=3 339 B3R0.2 CC(C)[Mg+] AMY40195 [2,0,0,0,0,0|1,0,1]=4 340 B3R0.2 CC(C)[O-] AMY38606 [2,0,0,0,0,0|0,0,2]=4 341 B3R0.2 CC(C)[O-] AMY40472 [2,0,0,0,0,0|0,0,2]=4 342 B5R0.1 C=C(C)CCBr AMY7022 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.1 C=CCC(C)=O AMY31929 [1,1,0,0,0,0|0,0,2]=4 344 B5R0.1 C=CC[C@H](C)N AM9152 [1,1,0,0,0,0|1,0,0]=3 345 B5R0.1 C=CC[C@H](C)O AM804193 [1,1,0,0,0,0|0,0,0]=2 346 B5R0.1 CC(C)=CC=O AMY42093 [1,1,0,0,0,0|1,0,1]=4 347 B5R0.1 CC(C)\C=N\O AMY37290 [1,1,0,0,0,0|2,0,0]=4 348 B5R0.1 CCCB(O)O AMY987 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.1 CCC[C@H](C)N AMY12548 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.1 CCNC(C)C AMY13342 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.1 CNCC(=O)O AM20080021 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.1 COCC(=O)O AMY4059 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.1 COC[C@@H](C)N AMY19545 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.1 COC[C@H](C)O AM20100219 [1,1,0,0,0,0|0,0,1]=3 355 B5R0.1 C[C@@H](O)CCO AMY25740 [1,1,0,0,0,0|0,0,1]=3 356 B5R0.1 C[C@H](N)CCO AM84886 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.1 C[C@H](N)CCO AM9719 [1,1,0,0,0,0|1,0,1]=4 358 B5R0.1 C[C@H](N)CCO AMY409 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.1 C[C@H](O)CNN AM803409 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.1 C\C=C\C(=O)O AMY11255 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.1 C\C=C\C(C)=O AMY31928 [1,1,0,0,0,0|0,0,2]=4 362 B5R0.1 NCCC(=O)O AM20080020 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.1 NCCC(=O)O AMY22128 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.1 O=C(O)CCBr AM20100434 [1,1,0,0,0,0|1,0,1]=4 365 B5R0.1 O=C(O)CCF AM803932 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.1 O=C(O)CCO AM85796 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.1 O=C(O)CCS AMY27767 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.1 O=C(O)\C=C/I AMY22685 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.1 O=C(O)\C=C\I AM806037 [1,1,0,0,0,0|1,0,1]=4 370 B5R0.4 C#CC(C)(C)O AMY3792 [1,1,0,0,0,0|0,0,2]=4 371 B5R0.4 C=CC(C)(C)O AMY3791 [1,1,0,0,0,0|0,0,0]=2 372 B5R0.4 C=CC(F)(F)Br AMY37200 [1,1,0,0,0,0|2,0,0]=4 373 B5R0.4 C=C[Si](C)(C)C AMY1250 [1,1,0,0,0,0|1,1,0]=4 374 B5R0.4 CC(C)(C)C=O AMY14201 [1,1,0,0,0,0|2,0,0]=4 375 B5R0.4 CC(C)(O)CCl AMY10400 [1,1,0,0,0,0|1,0,1]=4 376 B5R0.4 CC(C)(O)CN AM20090364 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.4 CCC(C)(C)O AMY11089 [1,1,0,0,0,0|0,0,1]=3 378 B5R0.4 CCC(C)(C)[O-] AMY33539 [1,1,0,0,0,0|0,0,2]=4 379 B5R0.5 C=C(F)C(=O)O AM84938 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.5 CC(=O)C(C)C AMY11021 [1,1,0,0,0,0|1,0,1]=4 381 B5R0.5 CC(=O)C(O)O AMY25827 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.5 CC(C)B(O)O AM1192 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.5 CC(C)[C@@H](C)N AMY22001 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.5 CC(C)[C@H](C)N AMY14243 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [1,1,0,0,0,0|2,0,0]=4 392 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.5 C[C@H](O)C(=N)N AM806558 [1,1,0,0,0,0|1,0,0]=3 402 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,1,0,0,0,0|1,0,0]=3 404 B5R0.2 BrCCCCBr AM20080049 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.2 C#CCCCC AMY1242 [1,1,0,0,0,0|0,0,2]=4 406 B5R0.2 C=CCCC=C AMY18716 [1,1,0,0,0,0|0,0,1]=3 407 B5R0.2 C=CCCC=C AMY19739 [1,1,0,0,0,0|0,0,1]=3 408 B5R0.2 C=CCCCBr AM20080066 [1,1,0,0,0,0|0,0,0]=2 409 B5R0.2 C=CCCCO AMY41353 [1,1,0,0,0,0|0,0,0]=2 410 B5R0.2 C=CCNC=O AMY24779 [1,1,0,0,0,0|1,0,1]=4 411 B5R0.2 CCCCCBr AMY9378 [1,1,0,0,0,0|0,0,2]=4 412 B5R0.2 CCCCCC AMY22305 [1,1,0,0,0,0|0,0,2]=4 413 B5R0.2 CCCCCN AMY21878 [1,1,0,0,0,0|0,0,2]=4 414 B5R0.2 CCCCCS AMY19243 [1,1,0,0,0,0|0,0,2]=4 415 B5R0.2 CCCCNN AMY202003284 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.2 CCCNCC AMY13343 [1,1,0,0,0,0|0,0,2]=4 417 B5R0.2 CCO\C=C/Br AM806384 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.2 CNCCCN AM20100546 [1,1,0,0,0,0|1,0,1]=4 419 B5R0.2 CNCCNC AM86300 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.2 COCCC#N AMY40960 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.2 COCCCBr AM20090592 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.2 COCCCCl AMY25654 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.2 COCCCN AMY21871 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.2 COCCCN AMY38449 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.2 COCCCO AM20080231 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.2 COCCNN AM803665 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.2 COCCNN AMY202003278 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.2 COCCOC AMY25530 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.2 COCCON AMY27642 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.2 CSCCCCl AMY744 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.2 ClCCCCI AMY2538 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.2 N#CCCC=O AMY9205 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.2 N#CCCCBr AMY10438 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.2 N#CCCCCl AMY40893 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.2 NCCCCCl AMY15236 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.2 NCCCCN AM20090504 [1,1,0,0,0,0|1,0,1]=4 437 B5R0.2 NCCCCO AMY17788 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.2 NOC\C=C\Cl AM90386 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.2 O=CCCC=O AMY18777 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,2,0,0,0,0|0,0,2]=4 441 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,2,0,0,0,0|0,0,1]=3 443 B7R0.3 C=CC(=O)NCCC AMY39214 [0,2,0,0,0,0|0,0,2]=4 444 B7R0.3 C=CC(=O)NCCN AMY1138 [0,2,0,0,0,0|0,0,2]=4 445 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,2,0,0,0,0|1,0,1]=4 446 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,2,0,0,0,0|1,0,1]=4 448 B7R0.5 C=C(Br)C(=O)OCC AM85811 [0,2,0,0,0,0|0,0,2]=4 449 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.5 CCO[C@H](O)C(F)F AM803241 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.5 CNC[C@H](N)C(=O)O AM86002 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.5 CNC[C@H](N)C(=O)O AMY22064 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.5 COC[C@H](N)C(=O)O AM808146 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.5 COC[C@H](N)C(=O)O AM808152 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.5 COC[C@H](N)C(=O)O AM808173 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.5 CSC[C@H](N)C(=O)O AM82581 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [0,2,0,0,0,0|2,0,0]=4 462 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.5 N[C@@H](CCBr)C(=O)O AMY18828 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.5 O=C(Cl)[C@@H](Br)CCBr AM20080598 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.7 C=CCC(=O)OCC AMY30553 [0,2,0,0,0,0|0,0,2]=4 474 B7R0.7 C=CCC(O)CC=C AM85702 [0,2,0,0,0,0|0,0,1]=3 475 B7R0.7 CCCC(O)CCC AMY23531 [0,2,0,0,0,0|0,0,2]=4 476 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,2,0,0,0,0|0,0,2]=4 477 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,2,0,0,0,0|0,0,2]=4 478 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,2,0,0,0,0|0,0,2]=4 479 B7R0.7 COCC(O)COC AMY25050 [0,2,0,0,0,0|0,0,2]=4 480 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,2,0,0,0,0|0,0,1]=3 481 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,2,0,0,0,0|1,0,1]=4 482 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,2,0,0,0,0|0,0,1]=3 483 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,2,0,0,0,0|1,0,1]=4 484 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.10 OC[C@@H](O)[C@H](S)CS AMY39309 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.10 OC[C@H](O)[C@H](O)CO AM83963 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.12 CCCC(CO)CO AMY36979 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,2,0,0,0,0|0,0,2]=4 489 B7R0.12 CNCC(OC)OC AMY41272 [0,2,0,0,0,0|1,0,1]=4 490 B7R0.12 COC(CCBr)OC AMY19911 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.12 COC(CCO)OC AMY38618 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.12 COCC(OC)OC AM20080585 [0,2,0,0,0,0|1,0,1]=4 493 B7R0.13 CC(C)C(Cl)(Cl)C=O AMY39939 [0,2,0,0,0,0|2,0,0]=4 494 B7R0.13 CCC(C)(C)C(=O)Cl AMY25715 [0,2,0,0,0,0|2,0,0]=4 495 B7R0.13 CCC(F)(F)C(=O)O AMY6073 [0,2,0,0,0,0|2,0,0]=4 496 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.13 C[C@](O)(CBr)C(=O)O AMY38140 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.15 CCC(CC)C(=O)[O-] AMY41123 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.15 CC[C@H](NC)C(=O)O AM9485 [0,2,0,0,0,0|1,0,1]=4 502 B7R0.15 CN[C@@H](CO)C(=O)O AM9151 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.15 CN[C@@H](CO)C(=O)O AM9254 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,2,0,0,0,0|2,0,0]=4 509 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,2,0,0,0,0|2,0,0]=4 510 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,2,0,0,0,0|2,0,0]=4 513 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,2,0,0,0,0|2,0,0]=4 514 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.18 CCC(N)(CO)CO AMY14264 [0,2,0,0,0,0|1,0,1]=4 518 B5R1.2 BrC1CCC1 AM803913 [1,0,0,1,0,0|1,0,1]=4 519 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|1,0,1]=4 520 B5R1.2 ClC1CCC1 AMY6175 [1,0,0,1,0,0|1,0,1]=4 521 B5R1.2 IC1CCC1 AMY6180 [1,0,0,1,0,0|1,0,1]=4 522 B5R1.2 NC1CCC1 AMY2668 [1,0,0,1,0,0|1,0,1]=4 523 B5R1.2 NC1CCC1 AMY6177 [1,0,0,1,0,0|1,0,1]=4 524 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,1,0,0|1,0,0]=3 525 B5R1.2 O=C1CCO1 AM20020040 [1,0,0,1,0,0|1,0,1]=4 526 B5R1.2 OC1CCC1 AM803645 [1,0,0,1,0,0|0,0,1]=3 527 B5R1.2 OC1CNC1 AM20100158 [1,0,0,1,0,0|1,0,1]=4 528 B5R1.2 OC1COC1 AM20020046 [1,0,0,1,0,0|1,0,1]=4 529 B5R1.2 OC1CSC1 AMY35636 [1,0,0,1,0,0|1,0,1]=4 530 B5R1.3 BrC[C@H]1CO1 AMY31919 [1,0,0,1,0,0|1,0,1]=4 531 B5R1.3 C=C[C@@H]1CO1 AMY40815 [1,0,0,1,0,0|0,0,0]=2 532 B5R1.3 ClC[C@H]1CO1 AM20090809 [1,0,0,1,0,0|1,0,1]=4 533 B5R1.3 ClC[C@H]1CO1 AM20090812 [1,0,0,1,0,0|1,0,1]=4 534 B5R1.3 ClC[C@H]1CO1 AMY40813 [1,0,0,1,0,0|1,0,1]=4 535 B5R1.3 IC[C@H]1CO1 AMY5696 [1,0,0,1,0,0|1,0,1]=4 536 B5R1.3 O=CC1CC1 AM90182 [1,0,0,1,0,0|2,0,0]=4 537 B5R1.3 OC[C@H]1CO1 AM20100365 [1,0,0,1,0,0|1,0,1]=4 538 B5R1.3 OC[C@H]1CO1 AM20100474 [1,0,0,1,0,0|1,0,1]=4 539 B5R1.3 OC[C@H]1CO1 AM81447 [1,0,0,1,0,0|1,0,1]=4 540 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|1,0,1]=4 541 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|1,0,1]=4 542 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [1,0,0,1,0,0|1,0,1]=4 543 B5R1.5 CC1(N)CC1 AM803556 [1,0,0,1,0,0|1,0,1]=4 544 B5R1.5 CC1(O)CC1 AMY38664 [1,0,0,1,0,0|0,0,1]=3 545 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,1,0,0|1,0,0]=3 546 B5R1.1 C1=CCNC1 AM9928 [1,0,0,1,0,0|1,0,0]=3 547 B5R1.1 C1=CCOC1 AM81814 [1,0,0,1,0,0|1,0,0]=3 548 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,1,0,0|1,0,0]=3 549 B5R1.1 C1CCNC1 AMY10044 [1,0,0,1,0,0|1,0,1]=4 550 B5R1.1 C1CCOC1 AMY11079 [1,0,0,1,0,0|1,0,1]=4 551 B5R1.1 C1CCOC1 AMY14809 [1,0,0,1,0,0|1,0,1]=4 552 B5R1.1 C1CCOC1 AMY14877 [1,0,0,1,0,0|1,0,1]=4 553 B5R1.1 C1CNNC1 AMY28694 [1,0,0,1,0,0|2,0,0]=4 554 B5R1.1 C1CNOC1 AM803837 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.1 BrCC1=CC=NO1 AM804245 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.1 BrCC1=NC=CO1 AM85471 [0,1,0,1,0,0|1,0,1]=4 557 B7R1.1 BrCC1=NOC=C1 AM804339 [0,1,0,1,0,0|1,0,1]=4 558 B7R1.1 BrCC1OCCO1 AMY39416 [0,1,0,1,0,0|1,0,1]=4 559 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,1,0,1,0,0|1,0,1]=4 561 B7R1.1 C=CC1=NCCO1 AMY10793 [0,1,0,1,0,0|0,0,1]=3 562 B7R1.1 C=CN1CCCC1 AM85776 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.1 CCC1=CC=CS1 AM20110253 [0,1,0,1,0,0|0,1,1]=4 564 B7R1.1 CCC1=NC=CN1 AM81998 [0,1,0,1,0,0|1,0,1]=4 565 B7R1.1 CCC1=NN=CO1 AM20080226 [0,1,0,1,0,0|1,0,1]=4 566 B7R1.1 CCN1C=CC=N1 AM20090357 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.1 CNC1=NC=CO1 AM804633 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.1 CNC1=NOC=C1 AM806468 [0,1,0,1,0,0|1,0,1]=4 569 B7R1.1 CNC1=NOC=C1 AM806552 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,1,0,1,0,0|1,0,1]=4 572 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,1,0,1,0,0|1,0,1]=4 573 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,1,0,1,0,0|1,0,1]=4 575 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,1,0,1,0,0|1,0,1]=4 576 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,1,0,1,0,0|1,0,1]=4 577 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,1,0,1,0,0|1,0,1]=4 578 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,1,0,1,0,0|1,0,1]=4 579 B7R1.1 ClCC1=CC=CO1 AMY26896 [0,1,0,1,0,0|1,0,1]=4 580 B7R1.1 ClCC1=CN=CO1 AMY41018 [0,1,0,1,0,0|1,0,1]=4 581 B7R1.1 ClCC1=NC=CO1 AM20090081 [0,1,0,1,0,0|1,0,1]=4 582 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,1,0,1,0,0|1,0,1]=4 583 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [0,1,0,1,0,0|1,0,1]=4 584 B7R1.1 NCC1=CC=NO1 AM20120499 [0,1,0,1,0,0|1,0,1]=4 585 B7R1.1 NCC1=CN=CO1 AM20110214 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.1 NCC1=NOC=C1 AM20080222 [0,1,0,1,0,0|1,0,1]=4 587 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,1,0,0|1,0,1]=4 588 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,1,0,0|1,0,1]=4 589 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,1,0,1,0,0|1,0,1]=4 590 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,1,0,1,0,0|1,0,1]=4 591 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,1,0,1,0,0|1,0,1]=4 593 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.1 NN[C@H]1CCOC1 AM9768 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.1 NN[C@H]1CCOC1 AMY13662 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,1,0,0|0,0,2]=4 597 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,1,0,1,0,0|1,0,0]=3 605 B7R1.1 OCC1=CC=CO1 AM81811 [0,1,0,1,0,0|1,0,1]=4 606 B7R1.1 OCC1=CC=NO1 AM20120507 [0,1,0,1,0,0|1,0,1]=4 607 B7R1.1 OCC1=CN=CO1 AM86088 [0,1,0,1,0,0|1,0,1]=4 608 B7R1.1 OCC1=COC=C1 AM85772 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.1 OCC1=NC=CO1 AM20080218 [0,1,0,1,0,0|1,0,1]=4 610 B7R1.1 OCC1=NOC=C1 AMY37652 [0,1,0,1,0,0|1,0,1]=4 611 B7R1.1 OCC1CC=CC1 AM20090293 [0,1,0,1,0,0|0,0,2]=4 612 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,1,0,0|0,0,2]=4 613 B7R1.1 OCC1OCCO1 AMY35660 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,1,0,0|1,0,1]=4 615 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,1,0,0|1,0,1]=4 616 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,1,0,0|1,0,1]=4 617 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,1,0,0|1,0,1]=4 618 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,1,0,0|1,0,1]=4 620 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,1,0,1,0,0|1,0,1]=4 622 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,1,0,1,0,0|1,0,1]=4 624 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,1,0,1,0,0|1,0,1]=4 625 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,1,0,1,0,0|1,0,1]=4 626 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,1,0,0|0,0,2]=4 627 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,1,0,0|0,0,2]=4 628 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,1,0,0|0,0,2]=4 629 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,1,0,0|1,0,1]=4 632 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,1,0,0|0,0,2]=4 636 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,1,0,0|0,0,2]=4 637 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,1,0,0|0,0,2]=4 638 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,1,0,0|0,0,2]=4 639 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,1,0,0|0,0,2]=4 640 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,1,0,0|0,0,2]=4 641 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,1,0,0|0,0,2]=4 642 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,1,0,1,0,0|0,0,1]=3 643 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,1,0,0|0,0,1]=3 644 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,1,0,0|1,0,1]=4 645 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,1,0,0|1,0,1]=4 646 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,1,0,0|1,0,1]=4 648 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,1,0,0|0,0,2]=4 649 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,1,0,1,0,0|1,0,0]=3 650 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,1,0,1,0,0|1,0,0]=3 651 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,1,0,1,0,0|1,0,0]=3 652 B7R1.3 O=C1C=CCCN1 AMY9701 [0,1,0,1,0,0|0,0,2]=4 653 B7R1.3 O=C1C=CCOC1 AMY23659 [0,1,0,1,0,0|0,0,2]=4 654 B7R1.3 OC1CCNCC1 AM20100322 [0,1,0,1,0,0|0,0,2]=4 655 B7R1.3 OC1CCNCC1 AMY24233 [0,1,0,1,0,0|0,0,2]=4 656 B7R1.3 OC1CCOCC1 AM20090170 [0,1,0,1,0,0|0,0,2]=4 657 B7R1.3 OC1CCSCC1 AMY37357 [0,1,0,1,0,0|0,0,2]=4 658 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,1,0,1,0,0|0,0,0]=2 659 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,1,0,1,0,0|0,0,2]=4 660 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,1,0,1,0,0|1,0,1]=4 661 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,1,0,1,0,0|0,0,2]=4 662 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,1,0,1,0,0|0,0,2]=4 663 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,1,0,1,0,0|0,0,2]=4 664 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,1,0,1,0,0|0,0,2]=4 665 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,1,0,1,0,0|0,0,2]=4 666 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,1,0,1,0,0|0,0,2]=4 667 B7R1.4 C=C1CCOC1=O AMY7315 [0,1,0,1,0,0|0,0,2]=4 668 B7R1.4 CC1CNCC1O AM806548 [0,1,0,1,0,0|0,0,2]=4 669 B7R1.4 CN1N=CC=C1O AM20090516 [0,1,0,1,0,0|1,0,1]=4 670 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,1,0,0|1,0,1]=4 672 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,1,0,0|0,0,2]=4 674 B7R1.4 NC1COCC1O AM803216 [0,1,0,1,0,0|1,0,1]=4 675 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,1,0,0|0,0,2]=4 676 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,1,0,0|0,0,2]=4 677 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,1,0,1,0,0|1,0,1]=4 679 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,1,0,0|0,0,2]=4 680 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,1,0,0|0,0,2]=4 681 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,1,0,0|2,0,0]=4 682 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,1,0,0|2,0,0]=4 683 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,1,0,1,0,0|1,0,1]=4 687 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,1,0,0|1,0,0]=3 690 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,1,0,0|0,0,2]=4 693 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,1,0,1,0,0|1,0,1]=4 694 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,1,0,1,0,0|1,0,1]=4 695 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,1,0,1,0,0|1,0,1]=4 696 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,1,0,1,0,0|1,0,1]=4 697 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,1,0,1,0,0|1,0,1]=4 699 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.10 C=C1CC(CN)C1 AM84290 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.10 C=C1CC(CO)C1 AM84289 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.10 O=CC1CC(F)C1 AM85365 [0,1,0,1,0,0|2,0,0]=4 703 B7R1.25 CC1(C=O)COC1 AM20020058 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.25 CCC1(O)CNC1 AM807070 [0,1,0,1,0,0|0,0,2]=4 705 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [0,1,0,1,0,0|1,0,1]=4 706 B7R1.25 NCC1(O)CCC1 AMY34521 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.12 CC1CC1C(=O)O AM803649 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.12 CC1CC1C(N)=O AMY5644 [0,1,0,1,0,0|2,0,0]=4 709 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.17 O=C1CCC1(F)F AMY42507 [0,1,0,1,0,0|2,0,0]=4 711 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,1,0,1,0,0|2,0,0]=4 712 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,1,0,1,0,0|2,0,0]=4 713 B7R1.18 O=C(O)C1CCC1 AM62800 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.19 CC(=O)C1(C)CC1 AMY37296 [0,1,0,1,0,0|1,0,1]=4 719 B7R1.19 CC(=O)C1(Cl)CC1 AMY11210 [0,1,0,1,0,0|1,0,1]=4 720 B7R1.19 CC1(C(=O)O)CC1 AM804235 [0,1,0,1,0,0|2,0,0]=4 721 B7R1.19 NC(=O)C1(Br)CC1 AMY942 [0,1,0,1,0,0|2,0,0]=4 722 B7R1.19 NC1(C(=O)O)CC1 AM20090214 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.19 NC1(C(=O)O)CC1 AMY940 [0,1,0,1,0,0|2,0,0]=4 724 B7R1.19 O=C(O)C1(Br)CC1 AMY1023 [0,1,0,1,0,0|2,0,0]=4 725 B7R1.19 O=C(O)C1(F)CC1 AM803184 [0,1,0,1,0,0|2,0,0]=4 726 B7R1.19 O=C(O)C1(O)CC1 AM85636 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,1,0,0|0,0,2]=4 728 B7R1.14 C[C@@]1(O)CCNC1 AMY34411 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.14 C[C@]1(O)CCNC1 AM20080194 [0,1,0,1,0,0|1,0,1]=4 730 B7R1.14 C[C@]1(O)CCNC1 AMY19290 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.29 C#CC1(CO)CC1 AMY34315 [0,1,0,1,0,0|0,0,2]=4 732 B7R1.29 N#CC1(CO)CC1 AMY25833 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.29 NCC1(CO)CC1 AMY21059 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.29 O=CC1(CF)CC1 AM807012 [0,1,0,1,0,0|2,0,0]=4 735 B7R1.29 OCC1(CF)CC1 AM806545 [0,1,0,1,0,0|1,0,1]=4 736 B7R2.13 C1CC2OC2C1 AM20090363 [0,0,0,2,0,0|0,0,2]=4