0 B5R0.3 C=C(CCl)CCl AM80980 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CO)CO AM20090550 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.3 C=CC(O)C=C AMY14244 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=C[C@@H](O)CC AMY851 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C=C[C@H](N)CO AMY14650 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CC(CBr)CBr AMY21213 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 CC(CI)CI AMY32062 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CCC(=O)CC AMY11060 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CCC(N)CC AMY4054 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 CCN(C)CC AMY13336 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 CCN(O)CC AMY25658 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CC[C@@H](N)CO AM85835 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 CC[C@@H](O)CN AMY6653 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 CC[C@@H](O)CO AMY40578 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CC[C@H](C)CBr AMY28688 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 CC[C@H](C)NN AM803011 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 CC[C@H](C)NN AM9772 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.3 CC[C@H](N)CO AM85834 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 CC[C@H](N)CO AM85988 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 CC[C@H](O)CO AMY40584 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.3 CC\C(C)=N\O AM90385 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 CO[C@@H](C)CN AMY21775 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 ClCC(Cl)CCl AMY22833 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.3 NC(CO)CO AM20100310 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.3 NCC(O)CN AM20100500 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.3 NC[C@H](F)CO AMY34391 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.3 NC[C@H](O)CCl AMY31075 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.3 NC[C@H](O)CO AM20100501 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.3 NC[C@H](O)CO AM20100602 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.3 NC[C@H](O)CO AMY18546 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.3 NNC(=O)CO AM803763 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.3 O=C(CBr)CBr AM85919 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 O=C(CO)CBr AMY19754 [0,0,0,0,0,0|1,0,2]=3 35 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.3 OC[C@H](O)CCl AM81448 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.3 OC[C@H](O)CCl AM81449 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.3 OC[C@H](O)CCl AMY21866 [0,0,0,0,0,0|1,0,0]=1 39 B4R0.1 C#C[C@@H](C)O AMY24232 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 C#C[C@H](C)Br AMY12092 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 C#C[C@H](C)N AM806670 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 C#C[C@H](C)O AMY34392 [1,0,0,0,0,0|1,0,1]=3 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[C@H](C)Cl AMY617 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 C=C[C@H](C)O AMY1257 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CC(=N)NO AMY18111 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(=O)CBr AM85840 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 CC(=O)CN AMY15017 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 CC(=O)CN AMY25062 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 CC(=O)NO AM20100343 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 CC(C)=NO AM90369 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CC(C)CBr AMY25783 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CC(C)NN AM20090002 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 CC(C)NN AMY202003297 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 CC(C)ON AM90376 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CCB(O)O AM80871 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CCC(=O)O AMY4114 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.1 CCC(C)[O-] AMY22246 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 CCN(C)C AMY13339 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 CC[C@H](C)O AMY11001 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.1 CN(C)CCl AMY39211 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 CNC(C)C AMY13353 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.1 C[C@H](Br)C#N AMY39192 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,0,0,0,0|1,0,0]=2 68 B4R0.1 C[C@H](N)C#N AM9634 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 C[C@H](N)CN AMY3672 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 C[C@H](N)CO AM20090557 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 C[C@H](N)CO AM20100507 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 C[C@H](O)CN AM20090353 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.1 C[C@H](O)CN AM20100779 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 C[C@H](O)CN AM81450 [1,0,0,0,0,0|1,0,0]=2 75 B4R0.1 FC(F)CCl AMY6873 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.1 FC(F)CI AMY20040 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 F[C@@H](Br)CBr AMY6863 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 NCC(=O)O AM81781 [1,0,0,0,0,0|1,0,2]=4 79 B4R0.1 NCC(F)F AMY7132 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 OCC(F)F AMY3957 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 [Li]CC(C)C AMY14929 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 BrCCCBr AMY25527 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 C#CCCBr AMY1272 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 C=CCCCl AMY11185 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 C=CCCO AMY14291 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.2 CC#CCO AMY19259 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.2 CCCCN AMY21914 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.2 CCCNN AM9771 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.2 CCNCC AMY25752 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.2 CCPCC AMY11725 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.2 CNCCCl AM803928 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.2 CNCCF AMY202003232 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.2 CNCCO AMY32697 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.2 COCCCl AMY25739 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.2 COCCN AM808206 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.2 CSCCCl AMY15533 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 CSCCN AMY33509 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.2 CSCCO AMY19250 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.2 C\C=C\CO AMY21936 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.2 ClCCCBr AMY40180 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.2 ClCCCCl AMY22013 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.2 ClCCCI AMY25762 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 FCCCBr AMY28674 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 N#CCCCl AMY21819 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.2 NCCCBr AM20100225 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.2 NCCCN AMY21886 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.2 NCCON AMY10143 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.2 NNCCO AM20080045 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.2 OCCCBr AM20100533 [1,0,0,0,0,0|1,0,0]=2 111 B4R0.2 OCCCCl AMY9478 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.2 OCCCF AM1014 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.2 SCCCBr AM806637 [1,0,0,0,0,0|1,1,0]=3 114 B4R0.2 [Li]CCCC AMY14790 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.1 C[C@H](CO)CCO AMY37676 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.1 OCC[C@H](O)CO AMY14876 [0,1,0,0,0,0|0,0,0]=1 122 B6R0.1 OCC[C@H](O)CO AMY6061 [0,1,0,0,0,0|0,0,0]=1 123 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,1,0,0,0,0|1,1,1]=4 135 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.3 NC(=O)C(N)CO AM806435 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,1,0,0,0,0|1,0,1]=3 148 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,1,0,0,0,0|1,0,1]=3 150 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,1,0,0,0,0|1,1,1]=4 151 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,1,0,0,0,0|1,1,1]=4 152 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,1,0,0,0,0|1,1,1]=4 153 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,1,0,0,0,0|1,1,1]=4 154 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,1,0,0,0,0|1,1,1]=4 155 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.8 C#C[C@@](C)(O)CC AMY4108 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.8 CC(C)(CCl)CCl AMY32075 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.8 CC(C)(CI)CI AMY32061 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.8 CC(C)(CN)CO AMY14344 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.8 CC(C)(CO)CCl AMY42053 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.8 CC(C)(CO)CO AMY25552 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.8 CC(N)(CO)CO AMY14265 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.8 CC[C@](C)(N)CN AMY40943 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.8 CC[C@](C)(O)CN AMY24170 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.8 CNC(C)(C)CO AM85695 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.8 COC(C)(C)CO AM90075 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.8 NCC(F)(F)CN AM806163 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.8 NCC(F)(F)CN AMY14720 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.8 NCC(F)(F)CO AMY14719 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.8 OCC(F)(F)CO AMY7075 [0,1,0,0,0,0|1,0,0]=2 172 B6R0.9 C=C[C@@H](CC)CO AMY36984 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.9 CCC(CC)NN AM10003 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.9 CCC(CC)NN AM10008 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.9 CCC(CO)CO AM10034 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.9 COC(CCl)OC AMY3314 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.9 OCC(CO)CO AM20100186 [0,1,0,0,0,0|0,0,0]=1 178 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,1,0,0|3,0,0]=4 181 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,1,0,0|3,0,0]=4 185 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.2 C=C1CCOC1 AMY6014 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,1,0,0|3,0,0]=4 188 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,1,0,0|3,0,0]=4 190 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,1,0,0|3,0,0]=4 191 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,1,0,0|3,0,0]=4 192 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,1,0,0|3,0,0]=4 193 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,1,0,0|3,0,0]=4 194 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,1,0,0|3,0,0]=4 195 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,1,0,0|3,0,0]=4 196 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,1,0,0|3,0,0]=4 199 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,1,0,0|2,0,0]=3 200 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,1,0,0|3,0,0]=4 201 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,1,0,0|3,0,0]=4 202 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,1,0,0|3,0,0]=4 203 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,1,0,0|3,0,0]=4 204 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,1,0,0|3,0,0]=4 205 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,1,0,0|3,0,0]=4 206 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,1,0,0|3,0,0]=4 207 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,1,0,0|3,0,0]=4 208 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,1,0,0|3,0,0]=4 209 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,1,0,0|3,0,0]=4 210 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,1,0,0|3,0,0]=4 211 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,1,0,0|3,0,0]=4 212 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.2 NC1CC=CC1 AM20120323 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,1,0,0|3,0,0]=4 215 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,1,0,0|3,0,0]=4 216 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,1,0,0|3,0,0]=4 217 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,1,0,0|3,0,0]=4 218 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,1,0,0|2,0,0]=3 219 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,1,0,0|2,0,0]=3 220 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,1,0,0|2,0,0]=3 221 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,1,0,0|2,0,0]=3 222 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.2 O=C1CCOC1 AM20090235 [0,0,0,1,0,0|1,0,2]=4 224 B6R1.2 OC1CC=CC1 AMY9178 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,1,0,0|3,0,0]=4 227 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,1,0,0|3,0,0]=4 228 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,1,0,0|2,0,0]=3 230 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,1,0,0|2,0,0]=3 233 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,1,0,0|3,0,0]=4 234 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,1,0,0|1,0,0]=2 235 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,1,0,0|1,0,0]=2 236 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,1,0,0|1,0,0]=2 237 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,1,0,0|1,1,0]=3 238 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,1,0,0|1,1,0]=3 239 B6R1.6 BrCC1CCC1 AM20070598 [0,0,0,1,0,0|3,0,0]=4 240 B6R1.6 BrCC1COC1 AM807116 [0,0,0,1,0,0|2,0,0]=3 241 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,0,0,1,0,0|2,0,0]=3 242 B6R1.6 CNC1COC1 AM20020057 [0,0,0,1,0,0|3,0,0]=4 243 B6R1.6 CNC1COC1 AMY5742 [0,0,0,1,0,0|3,0,0]=4 244 B6R1.6 ClCC1CCC1 AMY31015 [0,0,0,1,0,0|3,0,0]=4 245 B6R1.6 ClCC1COC1 AM807016 [0,0,0,1,0,0|2,0,0]=3 246 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,0,0,1,0,0|2,0,0]=3 247 B6R1.6 ICC1CCC1 AMY34464 [0,0,0,1,0,0|3,0,0]=4 248 B6R1.6 ICC1COC1 AM807382 [0,0,0,1,0,0|2,0,0]=3 249 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,0,0,1,0,0|2,0,0]=3 250 B6R1.6 NCC1CCC1 AM20070613 [0,0,0,1,0,0|3,0,0]=4 251 B6R1.6 NCC1COC1 AM20020041 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,0,0,1,0,0|2,0,0]=3 254 B6R1.6 NNC1COC1 AM9958 [0,0,0,1,0,0|3,0,0]=4 255 B6R1.6 O=CC1COC1 AMY38489 [0,0,0,1,0,0|1,0,2]=4 256 B6R1.6 OCC1CCC1 AM90211 [0,0,0,1,0,0|2,0,0]=3 257 B6R1.6 OCC1CNC1 AM20120333 [0,0,0,1,0,0|2,0,0]=3 258 B6R1.6 OCC1CNC1 AMY6173 [0,0,0,1,0,0|2,0,0]=3 259 B6R1.6 OCC1COC1 AM806983 [0,0,0,1,0,0|1,0,0]=2 260 B6R1.6 OC[C@H]1CCO1 AM807004 [0,0,0,1,0,0|1,0,0]=2 261 B6R1.7 CC1(CN)CC1 AM806561 [0,0,0,1,0,0|3,0,0]=4 262 B6R1.7 CC1(CN)CC1 AMY19193 [0,0,0,1,0,0|3,0,0]=4 263 B6R1.7 CC1(CO)CC1 AM803621 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.7 C[C@]1(CO)CO1 AM806634 [0,0,0,1,0,0|1,0,0]=2 265 B6R1.7 C[C@]1(CO)CO1 AM85933 [0,0,0,1,0,0|1,0,0]=2 266 B6R1.7 NC1(CO)CC1 AM81133 [0,0,0,1,0,0|2,0,0]=3 267 B6R1.7 NC1(CO)CC1 AMY5592 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.7 NCC1(F)CC1 AMY202003206 [0,0,0,1,0,0|3,0,0]=4 269 B6R1.7 NCC1(O)CC1 AM804312 [0,0,0,1,0,0|2,0,0]=3 270 B6R1.8 CC1CC1CN AM806562 [0,0,0,1,0,0|3,0,0]=4 271 B6R1.8 CC1CC1CO AM804126 [0,0,0,1,0,0|2,0,0]=3 272 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,0,0,1,0,0|2,0,0]=3 273 B3R0.1 BrCCBr AMY25519 [2,0,0,0,0,0|2,0,0]=4 274 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|0,0,0]=2 275 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|2,0,0]=4 276 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|2,0,0]=4 277 B3R0.1 CCON AM90373 [2,0,0,0,0,0|2,0,0]=4 278 B3R0.1 ClCCBr AMY25520 [2,0,0,0,0,0|2,0,0]=4 279 B3R0.1 ClCCCl AMY33455 [2,0,0,0,0,0|2,0,0]=4 280 B3R0.1 FCCBr AMY39418 [2,0,0,0,0,0|2,0,0]=4 281 B3R0.1 FCCI AM20100746 [2,0,0,0,0,0|2,0,0]=4 282 B3R0.1 NCCBr AM20090316 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.1 NCCCl AMY3602 [2,0,0,0,0,0|2,0,0]=4 284 B3R0.1 NCCF AM20100176 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.1 NCCS AMY202100105 [2,0,0,0,0,0|1,1,0]=4 286 B3R0.1 OCCBr AMY39504 [2,0,0,0,0,0|1,0,0]=3 287 B3R0.1 OCCF AMY25659 [2,0,0,0,0,0|1,0,0]=3 288 B3R0.1 OCCO AMY22336 [2,0,0,0,0,0|0,0,0]=2 289 B3R0.2 CC(=O)O AMY21906 [2,0,0,0,0,0|0,0,2]=4 290 B3R0.2 CC(=O)O AMY41276 [2,0,0,0,0,0|0,0,2]=4 291 B3R0.2 CC(C)Br AMY37129 [2,0,0,0,0,0|1,0,0]=3 292 B3R0.2 CC(C)O AMY11029 [2,0,0,0,0,0|0,0,0]=2 293 B3R0.2 CC(C)[Mg+] AMY40195 [2,0,0,0,0,0|1,0,0]=3 294 B3R0.2 CC(C)[O-] AMY38606 [2,0,0,0,0,0|0,0,1]=3 295 B3R0.2 CC(C)[O-] AMY40472 [2,0,0,0,0,0|0,0,1]=3 296 B3R0.2 CP(C)C AMY19776 [2,0,0,0,0,0|2,0,0]=4 297 B3R0.2 CS(C)=O AMY14894 [2,0,0,0,0,0|1,0,1]=4 298 B3R0.2 C[PH](C)=O AM90266 [2,0,0,0,0,0|1,0,1]=4 299 B3R0.2 C[S+](C)C AMY12539 [2,0,0,0,0,0|2,0,0]=4 300 B3R0.2 C[S+](C)C AMY9344 [2,0,0,0,0,0|2,0,0]=4 301 B3R0.2 C[SiH](C)C AMY21899 [2,0,0,0,0,0|1,1,0]=4 302 B3R0.2 OB(O)O AMY1007 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.1 C=CC[C@H](C)N AM9152 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.1 C=CC[C@H](C)O AM804193 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.1 CC(=O)CCO AMY31061 [1,1,0,0,0,0|0,0,2]=4 306 B5R0.1 CC(C)CNN AM806328 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.1 CC(C)CNN AM9787 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.1 CC(C)CON AMY31434 [1,1,0,0,0,0|1,0,0]=3 309 B5R0.1 CC(C)OCCl AMY23885 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.1 CC(C)\C=N\O AMY37290 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.1 CCCB(O)O AMY987 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.1 CCC[C@H](C)N AMY12548 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.1 CCNC(C)C AMY13342 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.1 COCC(=O)O AMY4059 [1,1,0,0,0,0|0,0,2]=4 315 B5R0.1 COC[C@@H](C)N AMY19545 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.1 COC[C@H](C)O AM20100219 [1,1,0,0,0,0|0,0,0]=2 317 B5R0.1 C[C@@H](O)CCO AMY25740 [1,1,0,0,0,0|0,0,0]=2 318 B5R0.1 C[C@H](N)CCO AM84886 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.1 C[C@H](N)CCO AM9719 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.1 C[C@H](N)CCO AMY409 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.1 C[C@H](O)CNN AM803409 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.1 C\C(Br)=C/CO AMY11209 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.1 NOCC(=O)O AMY19484 [1,1,0,0,0,0|0,0,2]=4 324 B5R0.1 O=C(O)CCO AM85796 [1,1,0,0,0,0|0,0,2]=4 325 B5R0.4 C#CC(C)(C)O AMY3792 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.4 C=CC(C)(C)O AMY3791 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.4 CC(C)(C)CBr AMY020 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.4 CC(C)(C)CCl AMY1168 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.4 CC(C)(C)CI AMY25581 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.4 CC(C)(C)CN AMY5183 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.4 CC(C)(C)CO AMY18878 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.4 CC(C)(N)CN AMY14283 [1,1,0,0,0,0|2,0,0]=4 333 B5R0.4 CC(C)(N)CO AMY25550 [1,1,0,0,0,0|1,0,0]=3 334 B5R0.4 CC(C)(O)CCl AMY10400 [1,1,0,0,0,0|1,0,0]=3 335 B5R0.4 CC(C)(O)CN AM20090364 [1,1,0,0,0,0|1,0,0]=3 336 B5R0.4 CC(F)(F)CCl AMY6016 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.4 CC(F)(F)CN AMY1251 [1,1,0,0,0,0|2,0,0]=4 338 B5R0.4 CC(F)(F)CO AMY1243 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.4 CCC(C)(C)O AMY11089 [1,1,0,0,0,0|1,0,0]=3 340 B5R0.4 CCC(C)(C)[O-] AMY33539 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.4 CP(C)(=O)CO AM10876 [1,1,0,0,0,0|1,0,1]=4 342 B5R0.4 C[Si](C)(C)CO AMY36454 [1,1,0,0,0,0|1,1,0]=4 343 B5R0.4 OCC(Cl)(Cl)Cl AMY25535 [1,1,0,0,0,0|2,0,0]=4 344 B5R0.4 OCC(F)(F)F AM20100728 [1,1,0,0,0,0|2,0,0]=4 345 B5R0.5 CC(=O)C(O)O AMY25827 [1,1,0,0,0,0|0,0,2]=4 346 B5R0.5 CC(C)B(O)O AM1192 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.5 CC(C)[C@@H](C)N AMY22001 [1,1,0,0,0,0|2,0,0]=4 348 B5R0.5 CC(C)[C@H](C)N AMY14243 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,1,0,0,0,0|0,0,2]=4 350 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,1,0,0,0,0|1,0,1]=4 358 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.5 C[C@H](O)C(=N)N AM806558 [1,1,0,0,0,0|1,0,1]=4 361 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,1,0,0,0,0|0,0,1]=3 362 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,1,0,0,0,0|0,0,2]=4 363 B5R0.5 OB(O)B(O)O AMY1008 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.2 BrCCCCBr AM20080049 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.2 C#CCCCC AMY1242 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.2 C=CCCCBr AM20080066 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.2 C=CCCCO AMY41353 [1,1,0,0,0,0|1,0,0]=3 368 B5R0.2 CCC#CCO AMY1239 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.2 CCCCCBr AMY9378 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.2 CCCCCC AMY22305 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.2 CCCCCN AMY21878 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.2 CCCCCS AMY19243 [1,1,0,0,0,0|1,1,0]=4 373 B5R0.2 CCCCNN AMY202003284 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.2 CCCNCC AMY13343 [1,1,0,0,0,0|2,0,0]=4 375 B5R0.2 CNCCCN AM20100546 [1,1,0,0,0,0|2,0,0]=4 376 B5R0.2 COCCC#N AMY40960 [1,1,0,0,0,0|1,0,1]=4 377 B5R0.2 COCCCBr AM20090592 [1,1,0,0,0,0|1,0,0]=3 378 B5R0.2 COCCCCl AMY25654 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.2 COCCCN AMY21871 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.2 COCCCN AMY38449 [1,1,0,0,0,0|1,0,0]=3 381 B5R0.2 COCCCO AM20080231 [1,1,0,0,0,0|0,0,0]=2 382 B5R0.2 COCCNN AM803665 [1,1,0,0,0,0|2,0,0]=4 383 B5R0.2 COCCNN AMY202003278 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.2 COCCOC AMY25530 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.2 COCCON AMY27642 [1,1,0,0,0,0|2,0,0]=4 386 B5R0.2 CSCCCCl AMY744 [1,1,0,0,0,0|1,1,0]=4 387 B5R0.2 ClCCCCI AMY2538 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.2 ClCCOCCl AMY38249 [1,1,0,0,0,0|2,0,0]=4 389 B5R0.2 N#CCCCBr AMY10438 [1,1,0,0,0,0|2,0,0]=4 390 B5R0.2 N#CCCCCl AMY40893 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.2 NCCCCCl AMY15236 [1,1,0,0,0,0|2,0,0]=4 392 B5R0.2 NCCCCN AM20090504 [1,1,0,0,0,0|2,0,0]=4 393 B5R0.2 NCCCCO AMY17788 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.2 OC\C=C\CCl AMY768 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,2,0,0,0,0|1,0,0]=3 398 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,2,0,0,0,0|1,0,0]=3 401 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,2,0,0,0,0|0,0,0]=2 404 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.5 CCO[C@H](O)C(F)F AM803241 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.5 COC[C@H](N)C(=O)O AM808146 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.5 COC[C@H](N)C(=O)O AM808152 [0,2,0,0,0,0|1,0,1]=4 411 B7R0.5 COC[C@H](N)C(=O)O AM808173 [0,2,0,0,0,0|1,0,1]=4 412 B7R0.5 COC[C@H](N)C(C)C AM806372 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,2,0,0,0,0|1,0,1]=4 414 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [0,2,0,0,0,0|1,0,1]=4 415 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [0,2,0,0,0,0|1,0,1]=4 416 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.7 C=CCC(O)CC=C AM85702 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.7 CCCC(O)CCC AMY23531 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.7 COCC(O)COC AMY25050 [0,2,0,0,0,0|0,0,0]=2 421 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,2,0,0,0,0|1,0,1]=4 423 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,2,0,0,0,0|1,0,1]=4 424 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,2,0,0,0,0|0,0,1]=3 430 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,2,0,0,0,0|0,0,1]=3 431 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.10 OC[C@@H](O)[C@H](S)CS AMY39309 [0,2,0,0,0,0|0,1,0]=3 433 B7R0.10 OC[C@H](O)[C@H](O)CO AM83963 [0,2,0,0,0,0|0,0,0]=2 434 B7R0.11 CCCC(C)(C)CO AM20120588 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.12 CCCC(CO)CO AMY36979 [0,2,0,0,0,0|1,0,0]=3 436 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.12 COC(CCO)OC AMY38618 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.12 COCC(OC)OC AM20080585 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.13 CC(C)(CO)C(=O)O AM90214 [0,2,0,0,0,0|1,0,1]=4 440 B7R0.13 C[C@](O)(CBr)C(=O)O AMY38140 [0,2,0,0,0,0|1,0,1]=4 441 B7R0.13 OCC(F)(F)C(F)F AMY6795 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.14 CC(C)(C)[C@@H](N)CO AMY13406 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.14 CC(C)(C)[C@H](N)CO AMY206 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.14 CC(C)(O)[C@H](F)CN AMY38972 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.14 OC[C@H](Br)C(F)(F)F AMY6881 [0,2,0,0,0,0|2,0,0]=4 446 B7R0.15 CN[C@@H](CO)C(=O)O AM9151 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.15 CN[C@@H](CO)C(=O)O AM9254 [0,2,0,0,0,0|1,0,1]=4 448 B7R0.15 O=C(O)C(CBr)CBr AMY15543 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,2,0,0,0,0|1,0,1]=4 450 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,2,0,0,0,0|1,0,1]=4 452 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,2,0,0,0,0|1,0,1]=4 455 B7R0.16 O=C(O)C(O)C(=O)O AMY6179 [0,2,0,0,0,0|0,0,2]=4 456 B7R0.18 CCC(N)(CO)CO AMY14264 [0,2,0,0,0,0|1,0,0]=3 457 B7R0.18 NC(CO)(CO)CO AM90366 [0,2,0,0,0,0|0,0,0]=2 458 B5R1.2 BrC1CCC1 AM803913 [1,0,0,1,0,0|2,0,0]=4 459 B5R1.2 BrC1CNC1 AMY34832 [1,0,0,1,0,0|2,0,0]=4 460 B5R1.2 BrC1COC1 AM20020035 [1,0,0,1,0,0|1,0,0]=3 461 B5R1.2 CC1CNC1 AM20120351 [1,0,0,1,0,0|2,0,0]=4 462 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|2,0,0]=4 463 B5R1.2 ClC1CCC1 AMY6175 [1,0,0,1,0,0|2,0,0]=4 464 B5R1.2 ClC1CNC1 AMY33719 [1,0,0,1,0,0|2,0,0]=4 465 B5R1.2 ClC1COC1 AMY34839 [1,0,0,1,0,0|1,0,0]=3 466 B5R1.2 FC1CNC1 AM20100512 [1,0,0,1,0,0|2,0,0]=4 467 B5R1.2 FC1CNC1 AMY12200 [1,0,0,1,0,0|2,0,0]=4 468 B5R1.2 FC1COC1 AM20020027 [1,0,0,1,0,0|1,0,0]=3 469 B5R1.2 IC1CCC1 AMY6180 [1,0,0,1,0,0|2,0,0]=4 470 B5R1.2 IC1COC1 AM20020026 [1,0,0,1,0,0|1,0,0]=3 471 B5R1.2 NC1CCC1 AMY2668 [1,0,0,1,0,0|2,0,0]=4 472 B5R1.2 NC1CCC1 AMY6177 [1,0,0,1,0,0|2,0,0]=4 473 B5R1.2 NC1CNC1 AMY6172 [1,0,0,1,0,0|2,0,0]=4 474 B5R1.2 NC1COC1 AM20020021 [1,0,0,1,0,0|1,0,0]=3 475 B5R1.2 NC1COC1 AM85383 [1,0,0,1,0,0|1,0,0]=3 476 B5R1.2 NC1CSC1 AM20120367 [1,0,0,1,0,0|1,1,0]=4 477 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,1,0,0|2,0,0]=4 478 B5R1.2 O=C1COC1 AM20020042 [1,0,0,1,0,0|0,0,2]=4 479 B5R1.2 OC1CCC1 AM803645 [1,0,0,1,0,0|1,0,0]=3 480 B5R1.2 OC1CNC1 AM20100158 [1,0,0,1,0,0|1,0,0]=3 481 B5R1.2 OC1COC1 AM20020046 [1,0,0,1,0,0|0,0,0]=2 482 B5R1.2 OC1CSC1 AMY35636 [1,0,0,1,0,0|0,1,0]=3 483 B5R1.2 SC1COC1 AMY33758 [1,0,0,1,0,0|0,1,0]=3 484 B5R1.3 BrCC1CC1 AM90231 [1,0,0,1,0,0|2,0,0]=4 485 B5R1.3 BrC[C@H]1CO1 AMY31919 [1,0,0,1,0,0|1,0,0]=3 486 B5R1.3 C=C[C@@H]1CO1 AMY40815 [1,0,0,1,0,0|1,0,1]=4 487 B5R1.3 ClCC1CC1 AM20100440 [1,0,0,1,0,0|2,0,0]=4 488 B5R1.3 ClC[C@H]1CO1 AM20090809 [1,0,0,1,0,0|1,0,0]=3 489 B5R1.3 ClC[C@H]1CO1 AM20090812 [1,0,0,1,0,0|1,0,0]=3 490 B5R1.3 ClC[C@H]1CO1 AMY40813 [1,0,0,1,0,0|1,0,0]=3 491 B5R1.3 ICC1CC1 AMY6123 [1,0,0,1,0,0|2,0,0]=4 492 B5R1.3 IC[C@H]1CO1 AMY5696 [1,0,0,1,0,0|1,0,0]=3 493 B5R1.3 NCC1CC1 AM61420 [1,0,0,1,0,0|2,0,0]=4 494 B5R1.3 OCC1CC1 AM20090298 [1,0,0,1,0,0|1,0,0]=3 495 B5R1.3 OC[C@H]1CO1 AM20100365 [1,0,0,1,0,0|0,0,0]=2 496 B5R1.3 OC[C@H]1CO1 AM20100474 [1,0,0,1,0,0|0,0,0]=2 497 B5R1.3 OC[C@H]1CO1 AM81447 [1,0,0,1,0,0|0,0,0]=2 498 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|2,0,0]=4 499 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|2,0,0]=4 500 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [1,0,0,1,0,0|2,0,0]=4 501 B5R1.4 FC1CC1Br AMY5835 [1,0,0,1,0,0|2,0,0]=4 502 B5R1.4 N[C@@H]1CC1F AM84389 [1,0,0,1,0,0|2,0,0]=4 503 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [1,0,0,1,0,0|2,0,0]=4 504 B5R1.5 CC1(N)CC1 AM803556 [1,0,0,1,0,0|2,0,0]=4 505 B5R1.5 CC1(O)CC1 AMY38664 [1,0,0,1,0,0|1,0,0]=3 506 B5R1.1 C1CCNC1 AMY10044 [1,0,0,1,0,0|2,0,0]=4 507 B5R1.1 C1CCOC1 AMY11079 [1,0,0,1,0,0|1,0,0]=3 508 B5R1.1 C1CCOC1 AMY14809 [1,0,0,1,0,0|1,0,0]=3 509 B5R1.1 C1CCOC1 AMY14877 [1,0,0,1,0,0|1,0,0]=3 510 B5R1.1 C1CNNC1 AMY28694 [1,0,0,1,0,0|2,0,0]=4 511 B5R1.1 C1CNOC1 AM803837 [1,0,0,1,0,0|1,0,0]=3 512 B5R1.1 C1COCN1 AMY42397 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.1 BrCC1OCCO1 AMY39416 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.1 NN[C@H]1CCOC1 AM9768 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.1 NN[C@H]1CCOC1 AMY13662 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.1 OCC1CC=CC1 AM20090293 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.1 OCC1OCCO1 AMY35660 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,1,0,0|1,0,0]=3 547 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,1,0,0|1,0,1]=4 563 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,1,0,0|1,0,1]=4 569 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,1,0,0|1,0,1]=4 572 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,1,0,0|0,0,1]=3 573 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.3 BrC1CCOCC1 AM90079 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.3 CC1CCOCC1 AMY6168 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.3 C[C@H]1COCCN1 AM803755 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.3 C[C@H]1COCCN1 AM804311 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.3 C[C@H]1COCCN1 AM806455 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.3 ClC1CCOCC1 AM794 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.3 FC1CCOCC1 AM100580 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.3 IC1CCOCC1 AM20090312 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.3 NC1CCOCC1 AM20090495 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.3 NC1CCOCC1 AM20100013 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.3 NC1CCOCC1 AM669 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.3 OC1CCNCC1 AM20100322 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.3 OC1CCNCC1 AMY24233 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.3 OC1CCOCC1 AM20090170 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.3 OC1CCSCC1 AMY37357 [0,1,0,1,0,0|1,1,0]=4 598 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,1,0,1,0,0|1,0,0]=3 599 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.3 SC1CCOCC1 AM100476 [0,1,0,1,0,0|1,1,0]=4 607 B7R1.4 CC1CNCC1O AM806548 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.4 NC1COCC1F AMY23754 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.4 NC1COCC1O AM803216 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.4 N[C@@H]1COC[C@@H]1N AMY16787 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,1,0,1,0,0|1,0,0]=3 615 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,1,0,1,0,0|1,0,0]=3 618 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,1,0,0|1,0,0]=3 619 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,1,0,1,0,0|1,0,0]=3 621 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,1,0,1,0,0|0,0,0]=2 625 B7R1.6 COCC1CNC1 AM20120364 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.6 COCC1CNC1 AMY33648 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.6 NCCC1COC1 AMY19670 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.6 OCCC1CCC1 AM807009 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.6 OCCC1COC1 AMY19718 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.10 C=C1CC(CO)C1 AM84289 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.10 CN1CC(CO)C1 AMY35664 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.10 NC1CC(CO)C1 AMY32100 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.10 NCC1CC(O)C1 AMY33634 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.10 NC[C@H]1C[C@@H](O)C1 AM20070628 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.10 N[C@H]1C[C@@H](CO)C1 AM807011 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,1,0,1,0,0|1,0,1]=4 638 B7R1.10 OCC1CC(F)C1 AM85531 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.10 OCC1CC(O)C1 AM85526 [0,1,0,1,0,0|1,0,0]=3 640 B7R1.21 COCC1(N)CC1 AMY38195 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,1,0,1,0,0|2,0,0]=4 642 B7R1.25 CC1(CBr)COC1 AM20020048 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.25 CC1(CCl)COC1 AM20020049 [0,1,0,1,0,0|2,0,0]=4 644 B7R1.25 CC1(CI)COC1 AM20020007 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.25 CC1(CN)COC1 AM20020018 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.25 CC1(CO)COC1 AM20020031 [0,1,0,1,0,0|1,0,0]=3 647 B7R1.25 CCC1(O)CNC1 AM807070 [0,1,0,1,0,0|2,0,0]=4 648 B7R1.25 C[C@]1(CO)CCN1 AMY35790 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [0,1,0,1,0,0|1,0,0]=3 650 B7R1.25 NC1(CF)COC1 AMY35821 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.25 NCC1(F)COC1 AMY33683 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.25 NCC1(N)COC1 AMY34775 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.25 NCC1(O)CCC1 AMY34521 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.25 OCC1(F)CNC1 AMY14763 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.25 OCC1(F)CNC1 AMY14764 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.25 OCC1(F)COC1 AMY38464 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.18 C[C@H](N)C1COC1 AMY35769 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.18 C[C@H](O)C1CNC1 AMY34523 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.18 C[C@H](O)C1COC1 AMY35807 [0,1,0,1,0,0|1,0,0]=3 661 B7R1.18 O=C(O)C1COC1 AM84264 [0,1,0,1,0,0|1,0,1]=4 662 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [0,1,0,1,0,0|1,0,1]=4 663 B7R1.19 O=C(O)C1(O)CC1 AM85636 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.23 OC[C@H]1CC1(F)F AMY17963 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.14 C[C@@]1(O)CCNC1 AMY34411 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.14 C[C@]1(O)CCNC1 AM20080194 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.14 C[C@]1(O)CCNC1 AMY19290 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.29 C#CC1(CO)CC1 AMY34315 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.29 N#CC1(CO)CC1 AMY25833 [0,1,0,1,0,0|2,0,0]=4 672 B7R1.29 NCC1(CO)CC1 AMY21059 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.29 OCC1(CF)CC1 AM806545 [0,1,0,1,0,0|2,0,0]=4 674 B7R2.13 C1CC2OC2C1 AM20090363 [0,0,0,2,0,0|2,0,0]=4