0 B5R0.1 C#CCC(=O)O AMY19285 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C=C(C)CCBr AMY7022 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C=CCC(C)=O AMY31929 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=CC[C@H](C)N AM9152 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CC#CC(=O)Cl AMY41204 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC#CC(=O)O AM90222 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=O)CC#N AM86800 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(=O)CC#N AMY7035 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(=O)CCO AMY31061 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CC(=O)OCCl AMY28690 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 CC(=O)\C=N\O AM806560 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(C)=CCBr AMY21882 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCCB(O)O AMY987 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CCCC(=N)N AM802888 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 CCCC(=N)N AMY2389 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.1 CCCC(C)=O AMY25524 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.1 CCC[C@H](C)N AMY12548 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.1 CCNC(=N)N AMY1900 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CCNC(C)C AMY13342 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CCNC(N)=S AMY18739 [0,0,0,0,0,0|1,1,0]=2 20 B5R0.1 CCOC(=S)[S-] AM20080300 [0,0,0,0,0,0|2,1,0]=3 21 B5R0.1 CCOC(C)=N AM90190 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 CCOC(N)=O AM20100253 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.1 CCO[PH](=O)[O-] AMY22458 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 CCSC(C)=S AM90236 [0,0,0,0,0,0|2,1,0]=3 25 B5R0.1 CN(C)CCBr AM84884 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 CN(C)CCCl AM20080022 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.1 CN(C)CCCl AM20100171 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.1 CN(C)CCN AM20080032 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.1 CNCC(=O)O AM20080021 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.1 CNCC(C)=O AM806508 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CNCC(N)=O AM82642 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.1 COCC(=N)N AM20120573 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 COCC(=O)Cl AMY40728 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 COCC(=O)O AMY4059 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.1 COC[C@@H](C)N AMY19545 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 COC[C@H](C)O AM20100219 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.1 CSCC(N)=O AMY10906 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.1 C[C@@H](O)CCO AMY25740 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 C[C@H](N)CCO AM84886 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.1 C[C@H](N)CCO AM9719 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.1 C[C@H](N)CCO AMY409 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.1 C\C(Br)=C/CO AMY11209 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 C\C=C\C(=O)O AMY11255 [0,0,0,0,0,0|1,0,2]=3 44 B5R0.1 C\C=C\C(C)=O AMY31928 [0,0,0,0,0,0|1,0,2]=3 45 B5R0.1 C\C=C\[N+](=O)[O-] AMY23936 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.1 N#CCC(N)=O AM20080019 [0,0,0,0,0,0|1,0,1]=2 47 B5R0.1 N#CNC(N)=O AMY397 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 NCCC(=O)O AM20080020 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.1 NCCC(=O)O AMY22128 [0,0,0,0,0,0|2,0,0]=2 50 B5R0.1 NCCC(N)=O AM20100576 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.1 NCCC(N)=O AMY6958 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.1 NNCC(=O)O AMY202100023 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.1 NOCC(=O)O AMY19484 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.1 O=C(Cl)CCBr AM90184 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.1 O=C(O)CCBr AM20100434 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.1 O=C(O)CCF AM803932 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.1 O=C(O)CCO AM85796 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.1 O=C(O)CCS AMY27767 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.1 O=C(O)\C=C/I AMY22685 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 O=C(O)\C=C\I AM806037 [0,0,0,0,0,0|2,0,2]=4 61 B4R0.1 C#CC(=O)O AMY7000 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.1 C#CC(N)=O AM20100705 [1,0,0,0,0,0|0,0,2]=3 63 B4R0.1 C=C(C)CBr AM85592 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 C=C(C)CN AMY13356 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 C=C(Cl)CCl AMY4111 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 C=CC(=O)Cl AMY18873 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 C=CC(=O)[O-] AMY3817 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CC(=O)C#N AMY39183 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CC(=O)CBr AM85840 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 CC(=O)CN AMY15017 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CC(=O)CN AMY25062 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(=O)NN AM20080014 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 CC(=O)NO AM20100343 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 CCB(O)O AM80871 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 CCC(=N)N AM803843 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 CCC(=O)Cl AMY4112 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.1 CCC(=O)O AMY4114 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.1 CCC(=O)[O-] AMY22300 [1,0,0,0,0,0|1,0,0]=2 79 B4R0.1 CCC(=O)[O-] AMY37013 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.1 CCC(C)[O-] AMY22246 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 CCC(N)=S AMY39288 [1,0,0,0,0,0|0,1,0]=2 82 B4R0.1 CCN(C)C AMY13339 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 CC[C@H](C)O AMY11001 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 CC[S@](=O)[O-] AMY15674 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 CNC(=N)N AM20090228 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 CNC(C)=O AMY4115 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CNC(N)=O AMY40217 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.1 COC(=N)N AM85805 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 COC(=N)N AMY8981 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 COC(N)=O AMY4044 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 CSC(=N)N AMY22236 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CSC(=N)N AMY304 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 C[C@H](N)CN AMY3672 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 C[C@H](N)CO AM20090557 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 C[C@H](N)CO AM20100507 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 N=C(N)NN AMY40484 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 N=C(N)NN AMY873 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 N=C(N)NO AMY31983 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 NC(=O)CBr AM85872 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 NC(=O)CCl AMY4113 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 NC(=O)NO AMY40858 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 NCC(=O)O AM81781 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 NCC(=O)[O-] AMY37022 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.1 NCC(N)=O AM20080473 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.1 NCC(N)=O AMY20517 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 NCC(N)=O AMY22705 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 NNC(N)=S AM20100785 [1,0,0,0,0,0|2,1,0]=4 109 B4R0.1 O=C(Br)CBr AMY21867 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 O=C(Cl)CBr AMY13645 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 O=C(Cl)CCl AMY40193 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 O=C([O-])CS AMY25320 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 O=CC(=O)O AMY40947 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 O=[N+]([O-])CBr AMY33516 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 BrCCCBr AMY25527 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 C#CCCBr AMY1272 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.2 C#CCOC AMY1246 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 C#COCC AMY33551 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 C=CCCCl AMY11185 [1,0,0,0,0,0|2,0,0]=3 121 B4R0.2 C=CCCO AMY14291 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.2 C=CCNC AMY13350 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.2 C=CCNN AM806419 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.2 C=CCOC AM20100534 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.2 C=CCON AM90375 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.2 CCCCN AMY21914 [1,0,0,0,0,0|0,0,1]=2 127 B4R0.2 CCCNN AM9771 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.2 CCNCC AMY25752 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 CCPCC AMY11725 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.2 CC\C=C\Br AMY796 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.2 CNCC#N AM20090317 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.2 CNCCCl AM803928 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 CNCCF AMY202003232 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 CNCCO AMY32697 [1,0,0,0,0,0|1,0,2]=4 135 B4R0.2 COCCCl AMY25739 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.2 COCCN AM808206 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.2 CSCCCl AMY15533 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.2 CSCCN AMY33509 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.2 CSCCO AMY19250 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.2 C\C=C\CCl AMY618 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 C\C=C\CO AMY21936 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.2 ClCCCBr AMY40180 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 ClCCCCl AMY22013 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 ClCCCI AMY25762 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 FCCCBr AMY28674 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 N#CCCCl AMY21819 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 NCCCBr AM20100225 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.2 NCCCN AMY21886 [1,0,0,0,0,0|1,0,1]=3 149 B4R0.2 NCCON AMY10143 [1,0,0,0,0,0|2,0,0]=3 150 B4R0.2 NNCCO AM20080045 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.2 OCCCBr AM20100533 [1,0,0,0,0,0|1,0,2]=4 152 B4R0.2 OCCCCl AMY9478 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.2 OCCCF AM1014 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.2 SCCCBr AM806637 [1,0,0,0,0,0|1,1,1]=4 155 B4R0.2 [Li]CCCC AMY14790 [1,0,0,0,0,0|1,0,1]=3 156 B6R0.1 C#CC(=O)OCC AM20100525 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.1 C=CC(=O)NCC AMY36703 [0,1,0,0,0,0|2,0,0]=3 158 B6R0.1 C=CC(=O)OCC AMY40211 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.1 CC#CC(=O)OC AMY1234 [0,1,0,0,0,0|1,0,2]=4 160 B6R0.1 CCC(=O)CC#N AMY10591 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.1 CCNC(=O)CCl AM802871 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.1 CCNC(=O)NC AM85700 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.1 CCOC(=N)CCl AMY15738 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.1 CCOC(=O)CBr AM20070701 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.1 CCOC(=O)CC AMY21941 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.1 CCOC(=O)CN AM81786 [0,1,0,0,0,0|1,0,0]=2 167 B6R0.1 CCOC(=O)NC AMY3767 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.1 CCOC(=O)NN AMY23328 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.1 CC\C=C(/C)C=O AMY2564 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.1 CNC(=O)CC#N AM20100565 [0,1,0,0,0,0|1,0,1]=3 171 B6R0.1 CNCC(=O)OC AM82645 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.1 COC(=O)CCBr AMY21872 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.1 COC(=O)CCN AM20090461 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.1 COC(=O)CCO AM85845 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.1 COC(=O)CSC AMY10908 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.1 COC(=O)OCCl AMY37648 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.1 COCC(=O)NN AMY3068 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.1 COCC(=O)OC AMY4063 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,1,0,0,0,0|1,0,2]=4 181 B6R0.1 N#CCC(=O)NN AMY5330 [0,1,0,0,0,0|1,0,1]=3 182 B6R0.1 O=C(CCl)CCCl AM9592 [0,1,0,0,0,0|2,0,0]=3 183 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,1,0,0,0,0|1,0,2]=4 184 B6R0.2 CC(=O)CC(C)C AMY11098 [0,1,0,0,0,0|1,0,0]=2 185 B6R0.2 CC(=O)NC(C)C AMY3785 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,1,0,0,0,0|1,0,2]=4 190 B6R0.2 CC(C)CB(O)O AM80872 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.2 CC(C)CC(=O)O AMY40214 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.2 CN(C)CC(=O)O AM20080064 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.2 CN(C)CC(=O)O AM81799 [0,1,0,0,0,0|2,0,0]=3 198 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,1,0,0,0,0|1,0,0]=2 204 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,1,0,0,0,0|1,0,0]=2 205 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,1,0,0,0,0|1,0,0]=2 206 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,1,0,0,0,0|1,0,0]=2 207 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.2 N=C(N)CC(=N)N AMY31195 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.2 N=C(N)CC(=N)N AMY31196 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.2 NC(=O)C[N+](=O)[O-] AM86587 [0,1,0,0,0,0|2,0,0]=3 217 B6R0.2 O=C(Cl)CC(=O)Cl AM10012 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.2 O=C(O)CC(F)F AMY6157 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.3 C=C(I)[C@H](C)CI AMY6046 [0,1,0,0,0,0|3,0,0]=4 221 B6R0.3 CC(=O)C(=O)CBr AMY23002 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.3 CC(=O)C(=O)CCl AMY42031 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.3 CCC(=O)C(=O)O AM90224 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [0,1,0,0,0,0|1,0,1]=3 226 B6R0.3 CCC(=O)C(C)=O AMY4046 [0,1,0,0,0,0|1,0,1]=3 227 B6R0.3 CCN(C)C(=O)Cl AM20090787 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.3 CCN(O)C(C)=O AMY33549 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [0,1,0,0,0,0|1,0,0]=2 230 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [0,1,0,0,0,0|0,0,0]=1 231 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [0,1,0,0,0,0|1,0,0]=2 232 B6R0.3 CC[C@H](C)B(O)O AM85121 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.3 CC[C@H](C)C(=O)O AM802977 [0,1,0,0,0,0|1,0,0]=2 234 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [0,1,0,0,0,0|0,0,0]=1 238 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [0,1,0,0,0,0|0,0,0]=1 239 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.3 CN(N=O)C(N)=O AMY36707 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [0,1,0,0,0,0|2,0,0]=3 244 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.3 COC(=O)C(=N)N AM804117 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.3 COC(=O)C(C)=O AMY40825 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.3 CON(C)C(C)=O AM1188 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.3 CO[C@H](C)C(=O)O AM84813 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.3 C[C@H](C#N)C(=O)O AMY19783 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [0,1,0,0,0,0|1,0,2]=4 254 B6R0.3 C\C=C(\C)C(=O)O AMY19230 [0,1,0,0,0,0|1,0,2]=4 255 B6R0.3 N#C[C@@H](N)C(N)=O AMY203 [0,1,0,0,0,0|1,0,1]=3 256 B6R0.3 NC(=O)C(N)CO AM806435 [0,1,0,0,0,0|1,0,0]=2 257 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,1,0,0,0,0|2,0,0]=3 261 B6R0.3 NC[C@H](O)C(=O)O AM1113 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.3 NC[C@H](O)C(=O)O AM82574 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.3 O=C(O)C(=O)CBr AM84337 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.4 C#CCOC(=O)Cl AMY3955 [0,1,0,0,0,0|1,0,2]=4 277 B6R0.4 C#CCOC(C)=O AM90264 [0,1,0,0,0,0|1,0,2]=4 278 B6R0.4 C=CCCC(=O)Cl AMY808 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.4 C=CCCC(=O)O AMY12553 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.4 C=CCCC(C)=O AM84335 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.4 C=CCOC(=O)Cl AMY3928 [0,1,0,0,0,0|1,0,2]=4 282 B6R0.4 C=CCOC(C)=O AMY22115 [0,1,0,0,0,0|1,0,2]=4 283 B6R0.4 C=CNCC(=O)O AMY22733 [0,1,0,0,0,0|1,0,2]=4 284 B6R0.4 CC(=O)NCCN AMY40665 [0,1,0,0,0,0|2,0,0]=3 285 B6R0.4 CC(C)CCCO AMY39142 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.4 CCCCC(=O)[O-] AMY026 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.4 CCCCN(C)C AMY25818 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.4 CCCOC(=O)Cl AMY3779 [0,1,0,0,0,0|1,0,0]=2 289 B6R0.4 CCOCC(=O)O AMY4062 [0,1,0,0,0,0|1,0,0]=2 290 B6R0.4 CCOCC(Br)Br AMY830 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.4 CCSCC(=O)O AM20100532 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.4 CN(C)CCCCl AM84336 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.4 CN(C)CCCCl AM90218 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.4 CNCCC(=O)O AM84855 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.4 CNCCC(C)C AMY37348 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.4 CNCCC(C)C AMY37370 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.4 CNCCN(C)C AMY10373 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.4 COCCC(=O)O AMY2689 [0,1,0,0,0,0|1,0,0]=2 299 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.4 NC(=O)OCCCl AMY19018 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.4 NCCCC(=O)O AM20100372 [0,1,0,0,0,0|1,0,0]=2 302 B6R0.4 NCCCC(N)=O AMY15220 [0,1,0,0,0,0|0,0,0]=1 303 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,1,0,0,0,0|1,0,0]=2 304 B6R0.4 O=C(O)CCCS AM20080221 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.4 O=C(O)\C=C\CBr AMY7050 [0,1,0,0,0,0|1,0,2]=4 306 B6R0.5 CC(C)(N)CCO AMY117 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.5 CCCS(=O)(=O)Cl AMY39421 [0,1,0,0,0,0|2,0,0]=3 308 B6R0.5 CCCS(N)(=O)=O AMY27802 [0,1,0,0,0,0|1,0,0]=2 309 B6R0.5 CCOS(C)(=O)=O AMY38422 [0,1,0,0,0,0|3,0,0]=4 310 B6R0.5 COCP(=O)(Cl)Cl AMY16772 [0,1,0,0,0,0|3,0,0]=4 311 B6R0.5 CS(=O)(=O)CCBr AMY20175 [0,1,0,0,0,0|3,0,0]=4 312 B6R0.5 CS(=O)(=O)CCCl AM803975 [0,1,0,0,0,0|3,0,0]=4 313 B6R0.5 CS(=O)(=O)CCN AM20070694 [0,1,0,0,0,0|3,0,0]=4 314 B6R0.5 NCCP(=O)(O)O AMY31171 [0,1,0,0,0,0|3,0,0]=4 315 B6R0.5 NCCS(=O)(=O)O AM20080018 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.5 O=P(O)(O)CCBr AMY31194 [0,1,0,0,0,0|3,0,0]=4 317 B6R0.5 O=S(=O)(Cl)CCBr AMY20174 [0,1,0,0,0,0|3,0,0]=4 318 B6R0.5 O=S(=O)(Cl)CCCl AMY11389 [0,1,0,0,0,0|3,0,0]=4 319 B6R1.2 BrC1=CCCC1 AMY38286 [0,0,0,1,0,0|2,0,0]=3 320 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,1,0,0|2,0,1]=4 321 B6R1.2 C=C1CCOC1 AMY6014 [0,0,0,1,0,0|3,0,0]=4 322 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,1,0,0|2,0,0]=3 323 B6R1.2 CC1=NCCC1 AMY886 [0,0,0,1,0,0|1,0,1]=3 324 B6R1.2 CC1=NCCS1 AMY23228 [0,0,0,1,0,0|2,0,1]=4 325 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,1,0,0|2,0,1]=4 326 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,1,0,0|3,0,0]=4 327 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,1,0,0|1,0,1]=3 328 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,1,0,0|1,0,1]=3 329 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,1,0,0|1,0,1]=3 330 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,1,0,0|1,0,1]=3 331 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,1,0,0|1,0,1]=3 332 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,1,0,0|1,0,2]=4 333 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,1,0,0|2,0,1]=4 334 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,1,0,0|2,0,1]=4 335 B6R1.2 N=C1CCCC1 AMY39966 [0,0,0,1,0,0|1,0,1]=3 336 B6R1.2 NC1=NCCS1 AMY202003298 [0,0,0,1,0,0|1,1,0]=3 337 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,1,0,0|1,0,1]=3 338 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,1,0,0|1,0,1]=3 339 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,1,0,0|2,0,1]=4 340 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,1,0,0|2,0,1]=4 341 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,1,0,0|2,0,1]=4 342 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,1,0,0|2,0,1]=4 343 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,1,0,0|2,0,1]=4 344 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,1,0,0|2,0,1]=4 345 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,1,0,0|2,0,1]=4 346 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,1,0,0|2,0,1]=4 347 B6R1.2 O=C1C=CCC1 AM61702 [0,0,0,1,0,0|1,0,1]=3 348 B6R1.2 O=C1C=CCO1 AM20100212 [0,0,0,1,0,0|1,0,2]=4 349 B6R1.2 O=C1C=CNN1 AMY11929 [0,0,0,1,0,0|1,0,2]=4 350 B6R1.2 O=C1CC=NN1 AMY11924 [0,0,0,1,0,0|1,0,1]=3 351 B6R1.2 O=C1CCCC1 AMY37126 [0,0,0,1,0,0|1,0,0]=2 352 B6R1.2 O=C1CCCN1 AMY25506 [0,0,0,1,0,0|0,0,0]=1 353 B6R1.2 O=C1CCNC1 AM20120384 [0,0,0,1,0,0|2,0,0]=3 354 B6R1.2 O=C1CCNC1 AMY6183 [0,0,0,1,0,0|2,0,0]=3 355 B6R1.2 O=C1CCNN1 AMY39277 [0,0,0,1,0,0|1,0,0]=2 356 B6R1.2 O=C1CCOC1 AM20090235 [0,0,0,1,0,0|2,0,0]=3 357 B6R1.2 O=C1CCSC1 AMY23378 [0,0,0,1,0,0|2,0,0]=3 358 B6R1.2 O=C1CNCN1 AM84594 [0,0,0,1,0,0|1,0,0]=2 359 B6R1.2 O=C1NC=CN1 AMY20044 [0,0,0,1,0,0|1,0,2]=4 360 B6R1.2 O=C1NCCN1 AM20080146 [0,0,0,1,0,0|1,0,0]=2 361 B6R1.2 O=C1NCCO1 AMY39498 [0,0,0,1,0,0|1,0,0]=2 362 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,1,0,0|1,0,2]=4 363 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,1,0,0|1,0,2]=4 364 B6R1.2 SC1=NCCS1 AMY23225 [0,0,0,1,0,0|1,1,1]=4 365 B6R1.5 C=C1CC(N)C1 AM84287 [0,0,0,1,0,0|3,0,0]=4 366 B6R1.5 C=C1CC(N)C1 AM84288 [0,0,0,1,0,0|3,0,0]=4 367 B6R1.5 CC1CC(=O)C1 AM806996 [0,0,0,1,0,0|1,0,0]=2 368 B6R1.5 CN1CC(N)C1 AMY4272 [0,0,0,1,0,0|2,0,1]=4 369 B6R1.5 NC1CC(=O)C1 AM20070559 [0,0,0,1,0,0|2,0,0]=3 370 B6R1.5 NC1CC(F)C1 AMY6159 [0,0,0,1,0,0|2,0,1]=4 371 B6R1.5 NC1CC(N)C1 AM85963 [0,0,0,1,0,0|2,0,1]=4 372 B6R1.5 NC1CC(O)C1 AM20070560 [0,0,0,1,0,0|2,0,1]=4 373 B6R1.5 NC1CC(O)C1 AM20070615 [0,0,0,1,0,0|2,0,1]=4 374 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,0,0,1,0,0|2,0,1]=4 375 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,0,0,1,0,0|2,0,1]=4 376 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,0,0,1,0,0|2,0,1]=4 377 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,0,0,1,0,0|2,0,1]=4 378 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,0,0,1,0,0|2,0,1]=4 379 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,0,0,1,0,0|2,0,1]=4 380 B6R1.5 O=C1CC(O)C1 AMY33736 [0,0,0,1,0,0|2,0,0]=3 381 B6R1.10 CC1(N)CCC1 AM808140 [0,0,0,1,0,0|1,0,1]=3 382 B6R1.10 CC1(N)CCC1 AMY1785 [0,0,0,1,0,0|1,0,1]=3 383 B6R1.10 CC1(N)COC1 AM20020051 [0,0,0,1,0,0|2,0,1]=4 384 B6R1.10 O=S1(=O)CCC1 AM20100397 [0,0,0,1,0,0|2,0,0]=3 385 B6R1.11 CC(=O)C1CC1 AM83286 [0,0,0,1,0,0|1,0,0]=2 386 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,0,0,1,0,0|1,0,1]=3 387 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,0,0,1,0,0|1,0,1]=3 388 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,0,0,1,0,0|1,0,2]=4 389 B6R1.11 N=C(N)C1CC1 AM804064 [0,0,0,1,0,0|1,0,0]=2 390 B6R1.11 N=C(N)C1CC1 AMY202003285 [0,0,0,1,0,0|1,0,0]=2 391 B6R1.11 NC(=O)C1CC1 AM20100524 [0,0,0,1,0,0|0,0,0]=1 392 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [0,0,0,1,0,0|1,0,0]=2 393 B6R1.11 NC(=S)C1CC1 AMY30195 [0,0,0,1,0,0|0,1,0]=2 394 B6R1.11 O=C(Cl)C1CC1 AMY3975 [0,0,0,1,0,0|1,0,0]=2 395 B6R1.11 O=C(O)C1CC1 AM83282 [0,0,0,1,0,0|1,0,0]=2 396 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [0,0,0,1,0,0|2,0,0]=3 397 B6R1.11 O=[S@]([O-])C1CC1 AMY20620 [0,0,0,1,0,0|2,0,0]=3 398 B6R1.11 OB(O)C1CC1 AM20100093 [0,0,0,1,0,0|2,0,1]=4 399 B3R0.1 BrCCBr AMY25519 [2,0,0,0,0,0|2,0,0]=4 400 B3R0.1 C#CCN AM86798 [2,0,0,0,0,0|0,0,2]=4 401 B3R0.1 C#CCN AMY22227 [2,0,0,0,0,0|0,0,2]=4 402 B3R0.1 C=CCN AMY22118 [2,0,0,0,0,0|0,0,2]=4 403 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|0,0,1]=3 404 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|1,0,0]=3 405 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|1,0,0]=3 406 B3R0.1 CCON AM90373 [2,0,0,0,0,0|1,0,0]=3 407 B3R0.1 C\C=C\Br AMY19968 [2,0,0,0,0,0|1,0,1]=4 408 B3R0.1 ClCCBr AMY25520 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 ClCCCl AMY33455 [2,0,0,0,0,0|2,0,0]=4 410 B3R0.1 FCCBr AMY39418 [2,0,0,0,0,0|2,0,0]=4 411 B3R0.1 FCCI AM20100746 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 N#CCN AMY19488 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 NCCBr AM20090316 [2,0,0,0,0,0|1,0,0]=3 414 B3R0.1 NCCCl AMY3602 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.1 NCCF AM20100176 [2,0,0,0,0,0|1,0,0]=3 416 B3R0.1 NCCS AMY202100105 [2,0,0,0,0,0|1,0,0]=3 417 B3R0.1 NNC=O AM9981 [2,0,0,0,0,0|2,0,0]=4 418 B3R0.1 OCCBr AMY39504 [2,0,0,0,0,0|1,0,1]=4 419 B3R0.1 OCCF AMY25659 [2,0,0,0,0,0|1,0,1]=4 420 B3R0.1 OCCO AMY22336 [2,0,0,0,0,0|1,0,1]=4 421 B3R0.2 C=C(C)Br AMY955 [2,0,0,0,0,0|2,0,0]=4 422 B3R0.2 C=C(C)[Mg+] AMY1042 [2,0,0,0,0,0|2,0,0]=4 423 B3R0.2 CC(=O)Br AMY21856 [2,0,0,0,0,0|1,0,0]=3 424 B3R0.2 CC(=O)O AMY21906 [2,0,0,0,0,0|1,0,0]=3 425 B3R0.2 CC(=O)O AMY41276 [2,0,0,0,0,0|1,0,0]=3 426 B3R0.2 CC(=O)[O-] AMY11747 [2,0,0,0,0,0|1,0,0]=3 427 B3R0.2 CC(=O)[O-] AMY1789 [2,0,0,0,0,0|1,0,0]=3 428 B3R0.2 CC(=O)[O-] AMY22485 [2,0,0,0,0,0|1,0,0]=3 429 B3R0.2 CC(=O)[O-] AMY22494 [2,0,0,0,0,0|1,0,0]=3 430 B3R0.2 CC(=O)[O-] AMY23396 [2,0,0,0,0,0|1,0,0]=3 431 B3R0.2 CC(=O)[O-] AMY23411 [2,0,0,0,0,0|1,0,0]=3 432 B3R0.2 CC(=O)[O-] AMY37172 [2,0,0,0,0,0|1,0,0]=3 433 B3R0.2 CC(=O)[O-] AMY9236 [2,0,0,0,0,0|1,0,0]=3 434 B3R0.2 CS(C)=O AMY14894 [2,0,0,0,0,0|2,0,0]=4 435 B3R0.2 C[PH](C)=O AM90266 [2,0,0,0,0,0|2,0,0]=4 436 B3R0.2 N=C(N)N AMY21875 [2,0,0,0,0,0|2,0,0]=4 437 B3R0.2 NC(=S)S AMY40763 [2,0,0,0,0,0|1,1,0]=4 438 B3R0.2 NC(N)=O AMY37159 [2,0,0,0,0,0|1,0,0]=3 439 B3R0.2 NC(N)=S AMY40190 [2,0,0,0,0,0|1,1,0]=4 440 B3R0.2 N[13C](N)=O AMY37002 [2,0,0,0,0,0|1,0,0]=3 441 B3R0.2 O=C([O-])O AMY40219 [2,0,0,0,0,0|2,0,0]=4 442 B3R0.2 O=C([O-])[O-] AMY31070 [2,0,0,0,0,0|2,0,0]=4 443 B5R0.3 C#CC(=O)OC AMY7053 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.3 C=CC(=O)CBr AMY31126 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.3 CCC(=O)CC AMY11060 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.3 CCC(=O)OC AMY21940 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.3 CCC(N)CC AMY4054 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.3 CC[C@@H](N)CO AM85835 [1,1,0,0,0,0|0,0,2]=4 449 B5R0.3 CC[C@@H](O)CN AMY6653 [1,1,0,0,0,0|0,0,2]=4 450 B5R0.3 CC[C@H](C)NN AM803011 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.3 CC[C@H](C)NN AM9772 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.3 CC[C@H](N)CO AM85834 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.3 CC[C@H](N)CO AM85988 [1,1,0,0,0,0|0,0,2]=4 454 B5R0.3 CC\C(C)=N\O AM90385 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.3 CNC(=O)NN AMY42564 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.3 COC(=O)C=O AMY1633 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.3 COC(=O)CF AM20100155 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.3 COC(=O)CN AM81785 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.3 COC(=O)OC AMY37165 [1,1,0,0,0,0|2,0,0]=4 460 B5R0.3 NNC(=O)CCl AMY39922 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.3 NNC(=O)CO AM803763 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.3 NNC(=O)NN AMY40845 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.3 O=C(CBr)CBr AM85919 [1,1,0,0,0,0|2,0,0]=4 464 B5R0.3 O=C(CO)CBr AMY19754 [1,1,0,0,0,0|2,0,0]=4 465 B5R0.4 CCS(N)(=O)=O AMY33485 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.5 C=C(C)C(=O)Cl AMY25816 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.5 C=C(C)C(N)=O AMY13351 [1,1,0,0,0,0|0,0,1]=3 468 B5R0.5 CC(=O)C(=O)O AMY6082 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [1,1,0,0,0,0|1,0,1]=4 471 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [1,1,0,0,0,0|1,0,1]=4 472 B5R0.5 CC(=O)C(C)C AMY11021 [1,1,0,0,0,0|1,0,0]=3 473 B5R0.5 CC(=O)C(F)F AMY6800 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.5 CC(=O)C(O)O AMY25827 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.5 CC(C)[C@@H](C)N AMY22001 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.5 CC(C)[C@H](C)N AMY14243 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,1,0,0,0,0|1,0,0]=3 480 B5R0.5 CN(C)C(=N)N AM804111 [1,1,0,0,0,0|2,0,0]=4 481 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,1,0,0,0,0|1,0,0]=3 482 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,1,0,0,0,0|1,0,0]=3 483 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,1,0,0,0,0|0,0,0]=2 485 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,1,0,0,0,0|1,0,0]=3 487 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,1,0,0,0,0|1,0,0]=3 489 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,1,0,0,0,0|1,0,0]=3 490 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,1,0,0,0,0|1,0,0]=3 491 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,1,0,0,0,0|0,0,0]=2 494 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,1,0,0,0,0|0,0,0]=2 495 B5R0.5 C[C@H](O)C(=N)N AM806558 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,1,0,0,0,0|1,0,0]=3 498 B5R0.5 NC(=O)C(N)=O AMY23583 [1,1,0,0,0,0|1,0,1]=4 499 B5R0.5 O=C(O)C(F)F AM20100014 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.2 BrCCCCBr AM20080049 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.2 C#CCCCC AMY1242 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.2 C=CCCC=C AMY18716 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.2 C=CCCC=C AMY19739 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.2 C=CCCCBr AM20080066 [1,1,0,0,0,0|1,0,0]=3 508 B5R0.2 C=CCCCO AMY41353 [1,1,0,0,0,0|1,0,0]=3 509 B5R0.2 C=CCNC=O AMY24779 [1,1,0,0,0,0|0,0,2]=4 510 B5R0.2 CCCCCBr AMY9378 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.2 CCCCCC AMY22305 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.2 CCCCCN AMY21878 [1,1,0,0,0,0|0,0,1]=3 513 B5R0.2 CCCCCS AMY19243 [1,1,0,0,0,0|0,1,1]=4 514 B5R0.2 CCCCNN AMY202003284 [1,1,0,0,0,0|0,0,1]=3 515 B5R0.2 CCCNCC AMY13343 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.2 CCO\C=C/Br AM806384 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.2 CNCCCN AM20100546 [1,1,0,0,0,0|0,0,1]=3 518 B5R0.2 CNCCNC AM86300 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.2 COCCC#N AMY40960 [1,1,0,0,0,0|0,0,2]=4 520 B5R0.2 COCCCBr AM20090592 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.2 COCCCCl AMY25654 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.2 COCCCN AMY21871 [1,1,0,0,0,0|0,0,1]=3 523 B5R0.2 COCCCN AMY38449 [1,1,0,0,0,0|0,0,1]=3 524 B5R0.2 COCCCO AM20080231 [1,1,0,0,0,0|0,0,2]=4 525 B5R0.2 COCCNN AM803665 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.2 COCCNN AMY202003278 [1,1,0,0,0,0|1,0,0]=3 527 B5R0.2 COCCOC AMY25530 [1,1,0,0,0,0|2,0,0]=4 528 B5R0.2 COCCON AMY27642 [1,1,0,0,0,0|1,0,0]=3 529 B5R0.2 CSCCCCl AMY744 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.2 ClCCCCI AMY2538 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.2 N#CCCC=O AMY9205 [1,1,0,0,0,0|0,0,1]=3 532 B5R0.2 N#CCCCBr AMY10438 [1,1,0,0,0,0|0,0,2]=4 533 B5R0.2 N#CCCCCl AMY40893 [1,1,0,0,0,0|0,0,2]=4 534 B5R0.2 N#CCCNN AMY202100074 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.2 NCCCCCl AMY15236 [1,1,0,0,0,0|0,0,1]=3 536 B5R0.2 NCCCCN AM20090504 [1,1,0,0,0,0|0,0,1]=3 537 B5R0.2 NCCCCO AMY17788 [1,1,0,0,0,0|0,0,1]=3 538 B5R0.2 O=C=NCCCl AMY23213 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.2 O=CCCC=O AMY18777 [1,1,0,0,0,0|0,0,1]=3 540 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.2 CC(C)C[C@H](N)C#N AMY32610 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,2,0,0,0,0|0,0,2]=4 544 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,2,0,0,0,0|0,0,2]=4 545 B7R0.2 CC(C)OC(=O)CN AM81795 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,2,0,0,0,0|2,0,0]=4 547 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,2,0,0,0,0|1,0,0]=3 548 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,2,0,0,0,0|1,0,0]=3 549 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,2,0,0,0,0|1,0,0]=3 550 B7R0.2 CCC(C)CC(C)N AMY12579 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,2,0,0,0,0|0,0,0]=2 552 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.3 C=CC(=O)NCCC AMY39214 [0,2,0,0,0,0|1,0,0]=3 564 B7R0.3 C=CC(=O)NCCN AMY1138 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.3 CCCCC(=O)NN AMY3964 [0,2,0,0,0,0|0,0,0]=2 566 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,2,0,0,0,0|0,0,2]=4 567 B7R0.3 CCCOC(=O)CC AMY21939 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.3 CNCCC(=O)OC AMY4326 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.3 COC(=O)CCC=O AM20080287 [0,2,0,0,0,0|1,0,1]=4 570 B7R0.3 COC(=O)CCCN AM803145 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.3 COC(=O)CCCS AMY40461 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.3 CSCC[C@H](N)C#N AMY32618 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,2,0,0,0,0|1,0,1]=4 575 B7R0.5 C#CC[C@H](N)C(=O)O AM82632 [0,2,0,0,0,0|1,0,1]=4 576 B7R0.5 C=C(Br)C(=O)OCC AM85811 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.5 C=CC[C@H](C)C(=O)O AMY3846 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.5 C=CC[C@H](N)C(=O)O AM82408 [0,2,0,0,0,0|1,0,1]=4 579 B7R0.5 C=CC[C@H](N)C(=O)O AM84669 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,2,0,0,0,0|1,0,0]=3 581 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [0,2,0,0,0,0|0,0,1]=3 582 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [0,2,0,0,0,0|0,0,1]=3 583 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [0,2,0,0,0,0|0,0,1]=3 584 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.5 CCOC(=O)C(F)F AM20100159 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.5 CCOC(=O)C(N)=O AM20100509 [0,2,0,0,0,0|0,0,1]=3 587 B7R0.5 CCOC(=O)N(C)C AMY39284 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.5 CCOC(=O)[C@@H](F)Br AM61520 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.5 CCOC(=O)[C@@H](F)Cl AMY3056 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.5 CN(C)C(=O)CC#N AMY38498 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.5 CNC[C@H](N)C(=O)O AM86002 [0,2,0,0,0,0|1,0,0]=3 597 B7R0.5 CNC[C@H](N)C(=O)O AMY22064 [0,2,0,0,0,0|1,0,0]=3 598 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [0,2,0,0,0,0|1,0,0]=3 599 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [0,2,0,0,0,0|1,0,0]=3 600 B7R0.5 COC[C@H](N)C(=O)O AM808146 [0,2,0,0,0,0|1,0,0]=3 601 B7R0.5 COC[C@H](N)C(=O)O AM808152 [0,2,0,0,0,0|1,0,0]=3 602 B7R0.5 COC[C@H](N)C(=O)O AM808173 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.5 CSC[C@H](N)C(=O)O AM82581 [0,2,0,0,0,0|1,0,0]=3 604 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [0,2,0,0,0,0|1,0,0]=3 606 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [0,2,0,0,0,0|1,0,0]=3 607 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,2,0,0,0,0|1,0,0]=3 609 B7R0.5 N[C@@H](CCBr)C(=O)O AMY18828 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.5 O=C(Cl)[C@@H](Br)CCBr AM20080598 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.7 C=CCC(=O)OCC AMY30553 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.7 CC#CC(=O)OCC AM86969 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.7 CCCC(=O)CCC AMY3807 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.7 CCCC(N)CCC AMY3864 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,2,0,0,0,0|0,0,2]=4 621 B7R0.7 CCNC(=O)NCC AMY25735 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.7 CCOC(=O)CC=O AMY18659 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.7 CCOC(=O)CCN AM803889 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.7 CCOC(=O)CCO AMY20483 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.7 CCOC(=O)CNC AM82644 [0,2,0,0,0,0|1,0,0]=3 626 B7R0.7 CCOC(=O)CNC AMY3815 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.7 CCOC(=O)CNN AM20100649 [0,2,0,0,0,0|1,0,0]=3 628 B7R0.7 CCOC(=O)COC AMY3969 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.7 CCOC(=O)CSC AMY33462 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.7 CCOC(=O)N=C=O AMY771 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.7 CCOC(=O)N=C=S AMY10862 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.7 CCOC(=O)OCC AMY11101 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.7 CCOC(=O)OCCl AMY14438 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.10 CCN(C)C(=O)CBr AM803019 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,2,0,0,0,0|0,0,2]=4 641 B7R0.10 CC[C@@H](O)C(=O)OC AMY31871 [0,2,0,0,0,0|1,0,0]=3 642 B7R0.10 CC[C@H](Br)C(=O)OC AM20090460 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.10 CC[C@H](O)C(=O)OC AMY31876 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.10 CNC(=O)[C@@H](N)CO AM86003 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.10 CN[C@@H](C)C(=O)OC AM9231 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.10 CN[C@@H](C)C(=O)OC AM9301 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.10 COC(=O)[C@@H](C)CBr AMY14329 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.10 COC(=O)[C@@H](C)CO AMY14286 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.10 COC(=O)[C@@H](F)CO AMY36965 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.10 COC(=O)[C@@H](N)CO AM20100384 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.10 COC(=O)[C@@H](N)CO AM20100431 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.10 COC(=O)[C@@H](N)CO AM82213 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.10 COC(=O)[C@@H](N)CS AM20090085 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.10 COC(=O)[C@@H](N)CS AM20100664 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.10 COC(=O)[C@@H](O)CO AMY30877 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.10 COC(=O)[C@@H](O)CO AMY30888 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.10 COC(=O)[C@H](C)CBr AMY14235 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.10 COC(=O)[C@H](C)CO AMY14231 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.10 COC(=O)[C@H](C)OC AMY37763 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.10 NNC(=O)[C@@H](N)CO AMY25339 [0,2,0,0,0,0|1,0,0]=3 661 B7R0.11 CCCS(=O)(=O)OC AMY7723 [0,2,0,0,0,0|2,0,0]=4 662 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.9 CC(C)(C)NC(N)=S AMY11605 [0,2,0,0,0,0|1,1,0]=4 665 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.9 CC(C)(N)CC(N)=O AMY120 [0,2,0,0,0,0|0,0,0]=2 669 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [0,2,0,0,0,0|2,0,0]=4 673 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [0,2,0,0,0,0|2,0,0]=4 675 B7R0.9 NC(=O)CC(F)(F)F AMY15466 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.9 O=C(O)CC(F)(F)F AMY6809 [0,2,0,0,0,0|2,0,0]=4 677 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.16 CC(=O)C(Cl)C(C)=O AMY3866 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,2,0,0,0,0|1,0,1]=4 680 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,2,0,0,0,0|1,0,0]=3 682 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,2,0,0,0,0|0,0,0]=2 686 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,2,0,0,0,0|1,0,0]=3 688 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,2,0,0,0,0|0,0,0]=2 691 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,2,0,0,0,0|1,0,0]=3 693 B7R0.16 NC(=O)C(N)C(N)=O AM20100518 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.13 CC(C)(CN)C(=O)O AMY286 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.13 CC(C)(CN)C(N)=O AM20090472 [0,2,0,0,0,0|1,0,0]=3 696 B7R0.13 CC(C)(CO)C(=O)O AM90214 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.13 CCC(C)(C)C(=O)Cl AMY25715 [0,2,0,0,0,0|1,0,0]=3 698 B7R0.13 CCC(F)(F)C(=O)O AMY6073 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.13 CC[C@@](C)(N)C(=O)O AM10160 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.13 CC[C@](C)(N)C(=O)O AM10150 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.13 CC[C@](C)(N)C(=O)O AM85837 [0,2,0,0,0,0|1,0,0]=3 702 B7R0.13 C[C@](Br)(CBr)C(=O)O AMY799 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.13 C[C@](O)(CBr)C(=O)O AMY38140 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.13 NCC(F)(F)C(=O)O AMY25033 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.14 CCN(C)S(N)(=O)=O AMY30403 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.15 CCC(CC)C(=O)[O-] AMY41123 [0,2,0,0,0,0|1,0,0]=3 707 B7R0.15 CCN(CC)C(=N)N AMY8929 [0,2,0,0,0,0|2,0,0]=4 708 B7R0.15 CCN(CC)C(=O)Cl AMY25807 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.15 CC[C@H](NC)C(=O)O AM9485 [0,2,0,0,0,0|1,0,0]=3 710 B7R0.15 CN[C@@H](CO)C(=O)O AM9151 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.15 CN[C@@H](CO)C(=O)O AM9254 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.15 CN[C@@H](CS)C(=O)O AM9159 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.15 CN[C@@H](CS)C(=O)O AM9312 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.15 O=C(O)C(CBr)CBr AMY15543 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.4 C#CCCCC(=O)O AM81010 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.4 C=CCCCC(=O)O AMY759 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.4 C=CCNCC(=O)O AMY22559 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.4 CC(=O)CCCCCl AM90172 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.4 CC(=O)NCCCN AMY36360 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.4 CCCCOC(C)=O AMY11075 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.4 CCCOCC(=O)O AMY4018 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.4 CCC\C=C\[N+](=O)[O-] AMY23948 [0,2,0,0,0,0|2,0,0]=4 724 B7R0.4 CCO\C=C\C(=O)Cl AMY22514 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.4 CCO\C=C\C(=O)O AMY9262 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.4 CNCCCC(=O)O AMY5046 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.4 CNCCOC(C)=O AMY15057 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.4 N#CCCCC(=O)O AMY16028 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.4 NC(=O)COCCCl AMY17904 [0,2,0,0,0,0|0,0,0]=2 730 B7R0.4 NCCCCC(=O)O AM82459 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.4 NCCCCC(=O)O AMY39227 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.4 O=C(O)CCCCBr AM85660 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.4 O=C(O)CCCCCl AMY40897 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.4 O=C(O)COCCCl AMY28725 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.4 [N-]=[N+]=NCCC(=O)O AMY21581 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.6 CN(C)CCC(=O)O AM86616 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.6 O=C(Cl)CCC(=O)Cl AMY4013 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.8 C=CCCS(N)(=O)=O AMY27858 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.8 CCCNS(N)(=O)=O AMY40359 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.8 CCCNS([NH-])(=O)=O AMY3332 [0,2,0,0,0,0|1,0,1]=4 753 B7R0.8 CCCOS(C)(=O)=O AMY3885 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.8 COCCS(=O)(=O)Cl AMY20215 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.8 COCCS(=O)(=O)[O-] AMY20619 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.8 CS(=O)(=O)CCCO AMY42220 [0,2,0,0,0,0|2,0,0]=4 757 B7R0.8 NCCCP(=O)(O)O AM20080224 [0,2,0,0,0,0|2,0,0]=4 758 B7R0.8 NCCCS(=O)(=O)O AMY23443 [0,2,0,0,0,0|2,0,0]=4 759 B7R0.8 NCCCS(=O)(=O)[O-] AMY41221 [0,2,0,0,0,0|2,0,0]=4 760 B7R0.8 O=P(O)(O)CCCBr AMY31193 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.8 O=S(=O)(Cl)CCCCl AM20080454 [0,2,0,0,0,0|2,0,0]=4 762 B7R0.8 O=S(=O)(O)CCCO AMY41222 [0,2,0,0,0,0|2,0,0]=4 763 B7R0.8 O=S(=O)([O-])CCCO AMY41223 [0,2,0,0,0,0|2,0,0]=4 764 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|1,0,1]=4 765 B5R1.2 NC1CCC1 AMY2668 [1,0,0,1,0,0|1,0,1]=4 766 B5R1.2 NC1CCC1 AMY6177 [1,0,0,1,0,0|1,0,1]=4 767 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,1,0,0|0,0,2]=4 768 B5R1.2 O=C1CCC1 AM20070575 [1,0,0,1,0,0|1,0,0]=3 769 B5R1.2 O=C1CCN1 AMY18291 [1,0,0,1,0,0|0,0,0]=2 770 B5R1.2 O=C1CCO1 AM20020040 [1,0,0,1,0,0|1,0,0]=3 771 B5R1.2 O=C1CNC1 AM20090048 [1,0,0,1,0,0|2,0,0]=4 772 B5R1.2 O=C1CNC1 AM20100329 [1,0,0,1,0,0|2,0,0]=4 773 B5R1.2 O=C1COC1 AM20020042 [1,0,0,1,0,0|2,0,0]=4 774 B5R1.2 O=C1CSC1 AM20090216 [1,0,0,1,0,0|2,0,0]=4 775 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|1,0,1]=4 776 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|1,0,1]=4 777 B5R1.5 CC1(N)CC1 AM803556 [1,0,0,1,0,0|1,0,1]=4 778 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,1,0,0|2,0,0]=4 779 B5R1.1 C1=CCNC1 AM9928 [1,0,0,1,0,0|2,0,0]=4 780 B5R1.1 C1=CCOC1 AM81814 [1,0,0,1,0,0|2,0,0]=4 781 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,1,0,0|0,0,1]=3 782 B5R1.1 C1CCNC1 AMY10044 [1,0,0,1,0,0|0,0,1]=3 783 B5R1.1 C1CCOC1 AMY11079 [1,0,0,1,0,0|0,0,2]=4 784 B5R1.1 C1CCOC1 AMY14809 [1,0,0,1,0,0|0,0,2]=4 785 B5R1.1 C1CCOC1 AMY14877 [1,0,0,1,0,0|0,0,2]=4 786 B5R1.1 C1CNNC1 AMY28694 [1,0,0,1,0,0|1,0,0]=3 787 B5R1.1 C1CNOC1 AM803837 [1,0,0,1,0,0|1,0,0]=3 788 B5R1.1 C1COCN1 AMY42397 [1,0,0,1,0,0|1,0,1]=4 789 B5R1.1 C1CSCN1 AMY40189 [1,0,0,1,0,0|1,0,1]=4 790 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,1,0,1,0,0|1,0,1]=4 792 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,1,0,1,0,0|1,0,1]=4 793 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,1,0,1,0,0|1,0,1]=4 795 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,1,0,0|1,0,1]=4 796 B7R1.1 COC1=NCCN1 AMY792 [0,1,0,1,0,0|1,0,1]=4 797 B7R1.1 ClCC1=NCCN1 AMY745 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,1,0,1,0,0|1,0,1]=4 805 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,1,0,1,0,0|1,0,1]=4 806 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,1,0,1,0,0|1,0,1]=4 807 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,1,0,1,0,0|1,0,1]=4 808 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,1,0,0|1,0,1]=4 809 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,1,0,1,0,0|1,0,1]=4 811 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,1,0,0|0,0,2]=4 813 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,1,0,0|0,0,2]=4 814 B7R1.1 NNC1CCCC1 AM803574 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.1 O=CC1=CCCC1 AMY30885 [0,1,0,1,0,0|1,0,0]=3 817 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.1 O=CN1CCCC1 AMY24174 [0,1,0,1,0,0|2,0,0]=4 819 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,1,0,1,0,0|0,0,1]=3 820 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,1,0,1,0,0|0,0,1]=3 821 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,1,0,1,0,0|0,0,1]=3 822 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,1,0,0|0,0,2]=4 824 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,1,0,0|0,0,2]=4 825 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,1,0,0|0,0,2]=4 826 B7R1.1 ON=C1CCCC1 AM20080131 [0,1,0,1,0,0|1,0,1]=4 827 B7R1.2 CC1=CC(=O)NO1 AMY22453 [0,1,0,1,0,0|0,0,2]=4 828 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.2 CN1C=CC(=O)N1 AMY281 [0,1,0,1,0,0|0,0,2]=4 830 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,1,0,1,0,0|1,0,0]=3 831 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,1,0,1,0,0|1,0,0]=3 832 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,1,0,1,0,0|1,0,1]=4 835 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,1,0,1,0,0|1,0,1]=4 836 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,1,0,0|0,0,0]=2 838 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,1,0,1,0,0|1,0,1]=4 839 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,1,0,0|0,0,0]=2 840 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,1,0,0|0,0,2]=4 841 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,1,0,0|1,0,0]=3 842 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,1,0,0|0,0,0]=2 843 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,1,0,0|0,0,0]=2 845 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,1,0,1,0,0|1,0,0]=3 846 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,1,0,1,0,0|1,0,1]=4 847 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,1,0,0|0,0,2]=4 848 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,1,0,0|0,0,2]=4 850 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,1,0,0|1,0,1]=4 851 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,1,0,0|1,0,1]=4 852 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,1,0,0|1,0,1]=4 853 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,1,0,0|0,0,0]=2 854 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,1,0,0|1,0,1]=4 857 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,1,0,0|1,0,1]=4 858 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,1,0,0|1,0,1]=4 859 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,1,0,0|1,0,1]=4 860 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.2 O=C1C=C(Br)CN1 AMY36765 [0,1,0,1,0,0|0,0,2]=4 862 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,1,0,1,0,0|1,0,1]=4 863 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,1,0,1,0,0|1,0,1]=4 864 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,1,0,0|1,0,0]=3 865 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,1,0,1,0,0|0,0,1]=3 866 B7R1.2 O=C1CSC(=O)N1 AM20090236 [0,1,0,1,0,0|1,0,1]=4 867 B7R1.2 O=C1CSC(=S)N1 AMY21863 [0,1,0,1,0,0|1,0,1]=4 868 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,1,0,0|0,0,0]=2 869 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,1,0,0|0,0,0]=2 870 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,1,0,0|0,0,0]=2 871 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,1,0,1,0,0|2,0,0]=4 873 B7R1.3 BrC1=CCCCC1 AMY38285 [0,1,0,1,0,0|2,0,0]=4 874 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,1,0,1,0,0|1,0,1]=4 875 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.3 C=C1CCCCC1 AMY736 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.3 C=C1CCCOC1 AMY6008 [0,1,0,1,0,0|1,0,1]=4 878 B7R1.3 C=C1CCNCC1 AMY5962 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.3 C=C1CCNCC1 AMY6101 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.3 C=C1CCNCC1 AMY6167 [0,1,0,1,0,0|2,0,0]=4 881 B7R1.3 C=C1CCOCC1 AMY34984 [0,1,0,1,0,0|2,0,0]=4 882 B7R1.3 CC1=CCNCC1 AMY33784 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.3 CC1=CCOCC1 AMY5953 [0,1,0,1,0,0|2,0,0]=4 884 B7R1.3 CC1=COCCC1 AMY6007 [0,1,0,1,0,0|1,0,1]=4 885 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,1,0,1,0,0|1,0,1]=4 886 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,1,0,1,0,0|1,0,1]=4 887 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,1,0,1,0,0|1,0,1]=4 888 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,1,0,1,0,0|1,0,1]=4 889 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,1,0,1,0,0|1,0,1]=4 890 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,1,0,1,0,0|1,0,1]=4 891 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,1,0,1,0,0|1,0,1]=4 892 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,1,0,1,0,0|1,0,1]=4 893 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,1,0,1,0,0|1,0,1]=4 894 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,1,0,1,0,0|1,0,1]=4 895 B7R1.3 C[C@H]1COCCN1 AM803755 [0,1,0,1,0,0|1,0,1]=4 896 B7R1.3 C[C@H]1COCCN1 AM804311 [0,1,0,1,0,0|1,0,1]=4 897 B7R1.3 C[C@H]1COCCN1 AM806455 [0,1,0,1,0,0|1,0,1]=4 898 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.3 ClC1=CCCCC1 AM85974 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,1,0,1,0,0|1,0,1]=4 902 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,1,0,1,0,0|1,0,1]=4 903 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,1,0,1,0,0|1,0,1]=4 904 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,1,0,1,0,0|1,0,1]=4 905 B7R1.3 NC1=NCCCN1 AMY15652 [0,1,0,1,0,0|1,0,0]=3 906 B7R1.3 NC1CCCCC1 AM802905 [0,1,0,1,0,0|1,0,1]=4 907 B7R1.3 NC1CCNCC1 AM85323 [0,1,0,1,0,0|1,0,1]=4 908 B7R1.3 NC1CCNCC1 AM85335 [0,1,0,1,0,0|1,0,1]=4 909 B7R1.3 NC1CCOCC1 AM20090495 [0,1,0,1,0,0|1,0,1]=4 910 B7R1.3 NC1CCOCC1 AM20100013 [0,1,0,1,0,0|1,0,1]=4 911 B7R1.3 NC1CCOCC1 AM669 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.3 NC1CCSCC1 AMY32230 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.3 NC1CCSCC1 AMY3238 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.3 NN1CCCCC1 AM85332 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.3 NN1CCCCC1 AM85348 [0,1,0,1,0,0|2,0,0]=4 916 B7R1.3 NN1CCNCC1 AM20090429 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,1,0,1,0,0|1,0,1]=4 918 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,1,0,1,0,0|1,0,1]=4 920 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,1,0,1,0,0|1,0,1]=4 922 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,1,0,1,0,0|1,0,1]=4 923 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,1,0,1,0,0|0,0,2]=4 924 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,1,0,1,0,0|0,0,2]=4 925 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,1,0,1,0,0|0,0,2]=4 926 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,1,0,1,0,0|0,0,2]=4 927 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,1,0,1,0,0|0,0,2]=4 928 B7R1.3 O=C1C=CCCN1 AMY9701 [0,1,0,1,0,0|0,0,1]=3 929 B7R1.3 O=C1C=CCOC1 AMY23659 [0,1,0,1,0,0|1,0,1]=4 930 B7R1.3 O=C1CCCCN1 AM20100626 [0,1,0,1,0,0|0,0,0]=2 931 B7R1.3 O=C1CCCNC1 AM20100504 [0,1,0,1,0,0|0,0,0]=2 932 B7R1.3 O=C1CCCNC1 AM81341 [0,1,0,1,0,0|0,0,0]=2 933 B7R1.3 O=C1CCCOC1 AM20090251 [0,1,0,1,0,0|1,0,0]=3 934 B7R1.3 O=C1CCCSC1 AM20090115 [0,1,0,1,0,0|1,0,0]=3 935 B7R1.3 O=C1CCNCC1 AM100807 [0,1,0,1,0,0|1,0,0]=3 936 B7R1.3 O=C1CCNCC1 AM20100060 [0,1,0,1,0,0|1,0,0]=3 937 B7R1.3 O=C1CCNCC1 AM803879 [0,1,0,1,0,0|1,0,0]=3 938 B7R1.3 O=C1CCOCC1 AM20090400 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.3 O=C1CCSCC1 AM20080026 [0,1,0,1,0,0|1,0,0]=3 940 B7R1.3 O=C1CNCCN1 AM20100386 [0,1,0,1,0,0|0,0,0]=2 941 B7R1.3 O=C1CNCCO1 AM62713 [0,1,0,1,0,0|1,0,0]=3 942 B7R1.3 O=C1COCCN1 AM20080044 [0,1,0,1,0,0|0,0,0]=2 943 B7R1.3 O=C1CSCCN1 AMY10805 [0,1,0,1,0,0|0,0,0]=2 944 B7R1.3 O=C1NCCCN1 AM90187 [0,1,0,1,0,0|0,0,0]=2 945 B7R1.3 O=C1NCCCO1 AMY19041 [0,1,0,1,0,0|0,0,0]=2 946 B7R1.3 O=S1CCOCC1 AMY42358 [0,1,0,1,0,0|2,0,0]=4 947 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,1,0,1,0,0|0,0,2]=4 948 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,1,0,1,0,0|0,0,2]=4 949 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,1,0,1,0,0|0,0,2]=4 950 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,1,0,1,0,0|0,0,2]=4 951 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,1,0,1,0,0|0,0,2]=4 952 B7R1.3 S=C1COCCN1 AMY10049 [0,1,0,1,0,0|0,1,0]=3 953 B7R1.3 SC1=NCCCN1 AMY7063 [0,1,0,1,0,0|0,1,0]=3 954 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,1,0,1,0,0|0,1,1]=4 955 B7R1.4 C=C1CCOC1=O AMY7315 [0,1,0,1,0,0|1,0,1]=4 956 B7R1.4 CN1CCCC1=O AM20110252 [0,1,0,1,0,0|0,0,0]=2 957 B7R1.4 CN1CCSC1=S AM84657 [0,1,0,1,0,0|1,1,0]=4 958 B7R1.4 CN1N=CCC1=O AMY11892 [0,1,0,1,0,0|1,0,1]=4 959 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,1,0,0|2,0,0]=4 960 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,1,0,0|1,0,0]=3 961 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,1,0,0|1,0,0]=3 962 B7R1.4 NC1CCCC1N AMY40491 [0,1,0,1,0,0|1,0,1]=4 963 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,1,0,0|0,0,2]=4 964 B7R1.4 NN1CCCC1=O AM84704 [0,1,0,1,0,0|0,0,0]=2 965 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,1,0,0|0,0,2]=4 966 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,1,0,0|0,0,2]=4 967 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,1,0,0|0,0,2]=4 969 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,1,0,1,0,0|1,0,1]=4 970 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,1,0,0|0,0,2]=4 971 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,1,0,0|0,0,0]=2 972 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,1,0,0|0,0,0]=2 973 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,1,0,1,0,0|1,0,0]=3 974 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,1,0,1,0,0|1,0,0]=3 975 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.4 N[C@H]1CONC1=O AM20100628 [0,1,0,1,0,0|1,0,0]=3 977 B7R1.4 O=C1CCCC1=O AMY23435 [0,1,0,1,0,0|1,0,0]=3 978 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,1,0,0|1,0,0]=3 979 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,1,0,0|0,0,0]=2 980 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,1,0,0|0,0,0]=2 981 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,1,0,0|0,0,0]=2 982 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,1,0,1,0,0|1,0,0]=3 983 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,1,0,1,0,0|2,0,0]=4 984 B7R1.10 C=C1CC(CN)C1 AM84290 [0,1,0,1,0,0|2,0,0]=4 985 B7R1.10 C=C1CC(CO)C1 AM84289 [0,1,0,1,0,0|2,0,0]=4 986 B7R1.10 CC1CC(CN)C1 AM806550 [0,1,0,1,0,0|1,0,1]=4 987 B7R1.10 COC1CC(N)C1 AM807010 [0,1,0,1,0,0|1,0,1]=4 988 B7R1.10 CO[C@H]1C[C@H](N)C1 AMY19617 [0,1,0,1,0,0|1,0,1]=4 989 B7R1.10 N#CC1CC(=O)C1 AM20070603 [0,1,0,1,0,0|1,0,1]=4 990 B7R1.10 NC1CC(CO)C1 AMY32100 [0,1,0,1,0,0|1,0,1]=4 991 B7R1.10 N[C@H]1C[C@@H](CO)C1 AM807011 [0,1,0,1,0,0|1,0,1]=4 992 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,1,0,1,0,0|1,0,0]=3 993 B7R1.10 O=C1CC(CF)C1 AM84266 [0,1,0,1,0,0|1,0,0]=3 994 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,1,0,1,0,0|1,0,0]=3 995 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,1,0,1,0,0|1,0,0]=3 996 B7R1.22 COC(=O)C1CC1 AM20090368 [0,1,0,1,0,0|1,0,0]=3 997 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,1,0,1,0,0|2,0,0]=4 998 B7R1.22 COC(=O)[C@@H]1CO1 AMY42223 [0,1,0,1,0,0|2,0,0]=4 999 B7R1.22 COC(=O)[C@H]1CO1 AMY31968 [0,1,0,1,0,0|2,0,0]=4 1000 B7R1.22 C\C(=N\O)C1CC1 AM87026 [0,1,0,1,0,0|1,0,1]=4 1001 B7R1.22 NC(=NO)C1CC1 AM85797 [0,1,0,1,0,0|0,0,1]=3 1002 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,1,0,1,0,0|0,0,0]=2 1003 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,1,0,1,0,0|0,0,2]=4 1004 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,1,0,1,0,0|1,0,0]=3 1005 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,1,0,1,0,0|1,0,0]=3 1006 B7R1.25 N#CC1(N)CCC1 AM804260 [0,1,0,1,0,0|1,0,1]=4 1007 B7R1.25 N#CC1(N)CCC1 AMY19236 [0,1,0,1,0,0|1,0,1]=4 1008 B7R1.25 NCC1(F)CCC1 AMY34316 [0,1,0,1,0,0|1,0,1]=4 1009 B7R1.25 NCC1(N)CCC1 AMY6115 [0,1,0,1,0,0|1,0,1]=4 1010 B7R1.25 NCC1(O)CCC1 AMY34521 [0,1,0,1,0,0|0,0,2]=4 1011 B7R1.12 CC1CC1C(=O)O AM803649 [0,1,0,1,0,0|1,0,0]=3 1012 B7R1.12 CC1CC1C(N)=O AMY5644 [0,1,0,1,0,0|0,0,0]=2 1013 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,1,0,1,0,0|1,0,0]=3 1014 B7R1.12 O=C(O)C1CC1F AMY5778 [0,1,0,1,0,0|1,0,0]=3 1015 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,1,0,1,0,0|1,0,0]=3 1016 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,1,0,1,0,0|1,0,0]=3 1017 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,1,0,1,0,0|1,0,0]=3 1018 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,1,0,1,0,0|1,0,0]=3 1019 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,1,0,1,0,0|1,0,0]=3 1020 B7R1.16 CC1(C)CC(N)C1 AMY34794 [0,1,0,1,0,0|1,0,1]=4 1021 B7R1.16 C[C@]1(N)C[C@H](O)C1 AMY34064 [0,1,0,1,0,0|1,0,1]=4 1022 B7R1.16 O=C1CC(F)(F)C1 AMY15596 [0,1,0,1,0,0|2,0,0]=4 1023 B7R1.16 O=S1(=O)CC(Br)C1 AM20100451 [0,1,0,1,0,0|2,0,0]=4 1024 B7R1.16 O=S1(=O)CC(Cl)C1 AM20080429 [0,1,0,1,0,0|2,0,0]=4 1025 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,1,0,1,0,0|1,0,0]=3 1026 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,1,0,1,0,0|1,0,0]=3 1027 B7R1.18 C[C@@H](N)C1CCC1 AM807006 [0,1,0,1,0,0|1,0,1]=4 1028 B7R1.18 C[C@H](N)C1CCC1 AM807007 [0,1,0,1,0,0|1,0,1]=4 1029 B7R1.18 C[C@H](N)C1CCC1 AM807008 [0,1,0,1,0,0|1,0,1]=4 1030 B7R1.18 C[C@H](N)C1COC1 AMY35769 [0,1,0,1,0,0|1,0,1]=4 1031 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,1,0,1,0,0|0,0,0]=2 1032 B7R1.18 NC(=O)C1CNC1 AM20100716 [0,1,0,1,0,0|0,0,0]=2 1033 B7R1.18 NC(=O)C1CNC1 AMY34027 [0,1,0,1,0,0|0,0,0]=2 1034 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,1,0,1,0,0|0,0,0]=2 1035 B7R1.18 O=C(O)C1CCC1 AM62800 [0,1,0,1,0,0|1,0,0]=3 1036 B7R1.18 O=C(O)C1CNC1 AM20090582 [0,1,0,1,0,0|1,0,0]=3 1037 B7R1.18 O=C(O)C1CNC1 AMY4825 [0,1,0,1,0,0|1,0,0]=3 1038 B7R1.18 O=C(O)C1COC1 AM84264 [0,1,0,1,0,0|1,0,0]=3 1039 B7R1.18 O=C(O)C1CSC1 AM20100754 [0,1,0,1,0,0|1,0,0]=3 1040 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,1,0,1,0,0|1,0,0]=3 1041 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,1,0,1,0,0|1,0,0]=3 1042 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,1,0,1,0,0|1,0,0]=3 1043 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [0,1,0,1,0,0|1,0,0]=3 1044 B7R1.18 O=[N+]([O-])C1CCC1 AMY18168 [0,1,0,1,0,0|2,0,0]=4 1045 B7R1.19 CC(=O)C1(C)CC1 AMY37296 [0,1,0,1,0,0|1,0,0]=3 1046 B7R1.19 CC(=O)C1(Cl)CC1 AMY11210 [0,1,0,1,0,0|1,0,0]=3 1047 B7R1.19 CC1(C(=O)O)CC1 AM804235 [0,1,0,1,0,0|1,0,0]=3 1048 B7R1.19 C[C@H](N)C1(C)CC1 AMY37388 [0,1,0,1,0,0|1,0,1]=4 1049 B7R1.19 NC(=O)C1(Br)CC1 AMY942 [0,1,0,1,0,0|0,0,0]=2 1050 B7R1.19 NC1(C(=O)O)CC1 AM20090214 [0,1,0,1,0,0|1,0,0]=3 1051 B7R1.19 NC1(C(=O)O)CC1 AMY940 [0,1,0,1,0,0|1,0,0]=3 1052 B7R1.19 O=C(O)C1(Br)CC1 AMY1023 [0,1,0,1,0,0|1,0,0]=3 1053 B7R1.19 O=C(O)C1(F)CC1 AM803184 [0,1,0,1,0,0|1,0,0]=3 1054 B7R1.19 O=C(O)C1(O)CC1 AM85636 [0,1,0,1,0,0|1,0,0]=3 1055 B7R1.14 CC1(C)CCCN1 AM804148 [0,1,0,1,0,0|1,0,1]=4 1056 B7R1.14 CC1(C)CCCN1 AMY17888 [0,1,0,1,0,0|1,0,1]=4 1057 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,1,0,0|1,0,1]=4 1058 B7R1.14 C[C@]1(N)CCNC1 AM20080696 [0,1,0,1,0,0|1,0,1]=4 1059 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [0,1,0,1,0,0|1,0,1]=4 1060 B7R1.14 O=S1(=O)CCCC1 AMY33385 [0,1,0,1,0,0|2,0,0]=4 1061 B7R1.14 O=S1(=O)CCCN1 AMY9120 [0,1,0,1,0,0|1,0,0]=3 1062 B7R1.14 O=S1(=O)NCCN1 AMY9350 [0,1,0,1,0,0|2,0,0]=4 1063 B7R1.26 CC(C)(N)C1CC1 AM806463 [0,1,0,1,0,0|1,0,1]=4 1064 B7R1.26 NS(=O)(=O)C1CC1 AM20080396 [0,1,0,1,0,0|1,0,0]=3 1065 B7R1.26 O=S(=O)(Cl)C1CC1 AM20080295 [0,1,0,1,0,0|2,0,0]=4 1066 B7R2.11 C1NC2CC1C2 AM803737 [0,0,0,2,0,0|1,0,1]=4 1067 B7R2.11 C1NC2CC1C2 AMY33557 [0,0,0,2,0,0|1,0,1]=4 1068 B7R2.13 C1CC2CC2N1 AM803615 [0,0,0,2,0,0|1,0,1]=4 1069 B7R2.5 NC12CC(C1)C2 AMY14689 [0,0,0,2,0,0|1,0,1]=4