0 B6R0.4 C#CCOC(=O)Cl AMY3955 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.4 C#CCOC(C)=O AM90264 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.4 C=CCCC(=O)Cl AMY808 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C=CCCC(=O)O AMY12553 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 C=CCCC(C)=O AM84335 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.4 C=CCOC(=O)Cl AMY3928 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.4 C=CCOC(C)=O AMY22115 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.4 CC(=O)NCCN AMY40665 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 CC(C)CCCO AMY39142 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CC(C)NCCCl AMY31121 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CC(C)OCCBr AM80879 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.4 CCCCC(=O)[O-] AMY026 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.4 CCCCN(C)C AMY25818 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 CCCOC(=O)Cl AMY3779 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.4 CCOCC(=O)O AMY4062 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CCSCC(=O)O AM20100532 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CN(C)CCCCl AM84336 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CN(C)CCCCl AM90218 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 CNCCC(=O)O AM84855 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.4 CNCCC(C)C AMY37348 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.4 CNCCC(C)C AMY37370 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.4 CNCCN(C)C AMY10373 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.4 COCCC(=O)O AMY2689 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.4 NC(=O)OCCCl AMY19018 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.4 NCCCC(=O)O AM20100372 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.4 NCCCC(N)=O AMY15220 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.4 O=C(O)CCCS AM20080221 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.4 O=C(O)\C=C\CBr AMY7050 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 C#CCC(=O)O AMY19285 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 C=C(C)CCBr AMY7022 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 C=CCC(C)=O AMY31929 [1,0,0,0,0,0|0,0,2]=3 33 B5R0.1 CC#CC(=O)Cl AMY41204 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 CC#CC(=O)O AM90222 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(=O)CC#N AM86800 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CC(=O)CC#N AMY7035 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.1 CC(=O)CCO AMY31061 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 CC(=O)OCCl AMY28690 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.1 CC(=O)\C=N\O AM806560 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CC(C)=CCBr AMY21882 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(C)OCCl AMY23885 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCCB(O)O AMY987 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CCCC(=N)N AM802888 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CCCC(=N)N AMY2389 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCCC(C)=O AMY25524 [1,0,0,0,0,0|0,0,0]=1 46 B5R0.1 CCC[C@H](C)N AMY12548 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 CCNC(=N)N AMY1900 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 CCNC(C)C AMY13342 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 CCNC(N)=S AMY18739 [1,0,0,0,0,0|2,1,0]=4 50 B5R0.1 CCOC(=S)[S-] AM20080300 [1,0,0,0,0,0|1,1,0]=3 51 B5R0.1 CCOC(C)=N AM90190 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 CCOC(N)=O AM20100253 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 CCO[PH](=O)[O-] AMY22458 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 CCSC(C)=S AM90236 [1,0,0,0,0,0|0,2,0]=3 55 B5R0.1 CN(C)CCBr AM84884 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CN(C)CCCl AM20080022 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CN(C)CCCl AM20100171 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CN(C)CCN AM20080032 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CNCC(=O)O AM20080021 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.1 CNCC(C)=O AM806508 [1,0,0,0,0,0|1,0,0]=2 61 B5R0.1 CNCC(N)=O AM82642 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 COCC(=N)N AM20120573 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 COCC(=O)Cl AMY40728 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 COCC(=O)O AMY4059 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 COC[C@@H](C)N AMY19545 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 COC[C@H](C)O AM20100219 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.1 CSCC(N)=O AMY10906 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.1 C[C@@H](O)CCO AMY25740 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 C[C@H](N)CCO AM84886 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 C[C@H](N)CCO AM9719 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 C[C@H](N)CCO AMY409 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 C\C(Br)=C/CO AMY11209 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.1 N#CCC(N)=O AM20080019 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 NCCC(=O)O AM20080020 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 NCCC(=O)O AMY22128 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 NCCC(N)=O AM20100576 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.1 NCCC(N)=O AMY6958 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.1 NNCC(=O)O AMY202100023 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 NOCC(=O)O AMY19484 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 O=C(O)CCBr AM20100434 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 O=C(O)CCF AM803932 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 O=C(O)CCO AM85796 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 O=C(O)CCS AMY27767 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|1,0,2]=4 88 B5R0.2 C=CCCCBr AM20080066 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 C=CCCCO AMY41353 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 C=CCNC=O AMY24779 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.2 CCO\C=C/Br AM806384 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.2 ClCCOCCl AMY38249 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 N#CCCC=O AMY9205 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 O=C=NCCCl AMY23213 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 O=CCCC=O AMY18777 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.2 CCC(C)CC(C)N AMY12579 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,1,0,0,0,0|3,0,0]=4 119 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.3 C=CC(=O)NCCC AMY39214 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.3 C=CC(=O)NCCN AMY1138 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.3 CCCCC(=O)NN AMY3964 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,0,0,0,0|0,0,0]=1 126 B7R0.3 CNCCC(=O)OC AMY4326 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.3 COC(=O)CCCN AM803145 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.3 COC(=O)CCCS AMY40461 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.3 COC(=O)\C=C\CBr AMY14793 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.3 CO\C=C\C(=O)OC AMY18381 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.3 [C-]#[N+]CCC(=O)OC AMY21714 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.4 C#CCCCC(=O)O AM81010 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.4 C=CCCCC(=O)O AMY759 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.4 CC(=O)CCCCCl AM90172 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.4 CC(=O)NCCCN AMY36360 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.4 CC(C)NCCCO AMY41464 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.4 CCCCOC(C)=O AMY11075 [0,1,0,0,0,0|0,0,0]=1 141 B7R0.4 CCCOCC(=O)O AMY4018 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.4 CCC\C=C\[N+](=O)[O-] AMY23948 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.4 CCO\C=C\C(=O)Cl AMY22514 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.4 CCO\C=C\C(=O)O AMY9262 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.4 CN(C)CCCCN AMY31964 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.4 CN(C)CCCCO AMY9644 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.4 CNCCCC(=O)O AMY5046 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.4 CNCCCN(C)C AMY28735 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.4 CNCCOC(C)=O AMY15057 [0,1,0,0,0,0|0,0,0]=1 150 B7R0.4 COCCCN(C)C AMY1821 [0,1,0,0,0,0|3,0,0]=4 151 B7R0.4 N#CCCCC(=O)O AMY16028 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.4 NC(=O)COCCCl AMY17904 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.4 NCCCCC(=O)O AM82459 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.4 NCCCCC(=O)O AMY39227 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.4 O=C(O)CCCCBr AM85660 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.4 O=C(O)CCCCCl AMY40897 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.4 O=C(O)COCCCl AMY28725 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.5 CCCC(=O)C(=O)O AMY6081 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [0,1,0,0,0,0|2,0,0]=3 164 B7R0.5 CCOC(=O)C(C)=O AMY40824 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.5 CCOC(=O)C(N)=O AM20100509 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.5 CNC[C@H](N)C(=O)O AM86002 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.5 CNC[C@H](N)C(=O)O AMY22064 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.5 COC[C@@H](N)C(=O)O AMY25034 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.5 COC[C@H](Cl)C(=O)O AMY11466 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.5 COC[C@H](N)C(=O)O AM808146 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.5 COC[C@H](N)C(=O)O AM808152 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.5 COC[C@H](N)C(=O)O AM808173 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.5 CSC[C@H](N)C(=O)O AM82581 [0,1,0,0,0,0|3,0,0]=4 174 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.5 N[C@@H](CCBr)C(=O)O AMY18828 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.5 N[C@@H](CCBr)C(=O)O AMY4429 [0,1,0,0,0,0|3,0,0]=4 181 B7R0.5 N[C@@H](CCO)C(=O)O AM20100471 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.5 N[C@@H](CCO)C(=O)O AM20100617 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.5 N[C@@H](CCO)C(=O)O AM82563 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.5 N[C@@H](CCS)C(=O)O AMY25680 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.5 O=C(Cl)[C@@H](Br)CCBr AM20080598 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,1,0,0,0,0|1,0,1]=3 188 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,1,0,0,0,0|1,0,1]=3 191 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,1,0,0,0,0|2,0,0]=3 194 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.6 CN(C)CCC(=O)O AM86616 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.8 CCCCC(C)(O)O AMY1200 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.8 CCCNS(N)(=O)=O AMY40359 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.8 CCCNS([NH-])(=O)=O AMY3332 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.8 CCCOS(C)(=O)=O AMY3885 [0,1,0,0,0,0|1,0,0]=2 202 B7R0.8 CS(=O)(=O)CCCO AMY42220 [0,1,0,0,0,0|3,0,0]=4 203 B7R1.2 CC1=CC(C)=NO1 AM20090405 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,0,1,0,0|3,0,0]=4 231 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.3 CC1SCCCS1 AMY24701 [0,0,0,1,0,0|0,2,1]=4 238 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.3 NC1=NCCCN1 AMY15652 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.3 NN1CCCCC1 AM85332 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.3 NN1CCCCC1 AM85348 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,1,0,0|1,0,2]=4 254 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,1,0,0|1,0,0]=2 256 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,1,0,0|1,0,2]=4 273 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,1,0,0|2,1,0]=4 274 B7R1.3 SC1=NCCCN1 AMY7063 [0,0,0,1,0,0|2,1,0]=4 275 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,1,0,0|1,1,1]=4 276 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.10 C=C1CC(CN)C1 AM84290 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.10 C=C1CC(CO)C1 AM84289 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.10 N#CC1CC(=O)C1 AM20070603 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.10 O=C1CC(CF)C1 AM84266 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,0,0,1,0,0|2,0,0]=3 283 B7R1.12 CC1CC1C(=O)O AM803649 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.12 CC1CC1C(N)=O AMY5644 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.12 O=C(O)C1CC1F AMY5778 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,0,0,1,0,0|3,0,0]=4 291 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.14 CC1(C)CCCN1 AM804148 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.14 CC1(C)CCCN1 AMY17888 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.14 CC1(C)NCCO1 AMY42458 [0,0,0,1,0,0|2,0,1]=4 295 B7R1.14 CC1(N)CCCC1 AM808157 [0,0,0,1,0,0|2,0,1]=4 296 B7R1.14 CC1(O)CCCC1 AMY25573 [0,0,0,1,0,0|1,0,2]=4 297 B7R1.14 C[Si]1(C)CCCC1 AMY42241 [0,0,0,1,0,0|2,1,0]=4 298 B7R1.14 O=S1(=O)CCCC1 AMY33385 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.14 O=S1(=O)CCCN1 AMY9120 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.14 O=S1(=O)OCCO1 AMY21937 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.18 C[C@@H](N)C1CCC1 AM807006 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.18 C[C@H](N)C1CCC1 AM807007 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.18 C[C@H](N)C1CCC1 AM807008 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [0,0,0,1,0,0|1,0,2]=4 305 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.18 NC(=O)C1CNC1 AM20100716 [0,0,0,1,0,0|3,0,0]=4 307 B7R1.18 NC(=O)C1CNC1 AMY34027 [0,0,0,1,0,0|3,0,0]=4 308 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,0,0,1,0,0|3,0,0]=4 309 B7R1.18 O=C(O)C1CCC1 AM62800 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.18 O=C(O)C1CNC1 AM20090582 [0,0,0,1,0,0|3,0,0]=4 311 B7R1.18 O=C(O)C1CNC1 AMY4825 [0,0,0,1,0,0|3,0,0]=4 312 B7R1.18 O=C(O)C1COC1 AM84264 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.18 O=C(O)C1CSC1 AM20100754 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,0,0,1,0,0|3,0,0]=4 315 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.18 O=C(O)[C@@H]1CCO1 AM20020050 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.18 O=[N+]([O-])C1CCC1 AMY18168 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,0,0,1,0,0|1,0,0]=2 320 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,0,0,1,0,0|2,0,0]=3 321 B4R0.1 C=C(C)CBr AM85592 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.1 C=C(C)CN AMY13356 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.1 CC(=O)C#N AMY39183 [2,0,0,0,0,0|1,0,1]=4 324 B4R0.1 CC(=O)CBr AM85840 [2,0,0,0,0,0|1,0,0]=3 325 B4R0.1 CC(=O)CN AMY15017 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.1 CC(=O)CN AMY25062 [2,0,0,0,0,0|1,0,0]=3 327 B4R0.1 CC(=O)NN AM20080014 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.1 CC(=O)NO AM20100343 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.1 CCC(=N)N AM803843 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.1 CCC(=O)Cl AMY4112 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.1 CCC(=O)O AMY4114 [2,0,0,0,0,0|1,0,0]=3 332 B4R0.1 CCC(=O)[O-] AMY22300 [2,0,0,0,0,0|1,0,0]=3 333 B4R0.1 CCC(=O)[O-] AMY37013 [2,0,0,0,0,0|1,0,0]=3 334 B4R0.1 CCC(C)[O-] AMY22246 [2,0,0,0,0,0|0,0,2]=4 335 B4R0.1 CCC(N)=S AMY39288 [2,0,0,0,0,0|1,1,0]=4 336 B4R0.1 CCN(C)C AMY13339 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.1 CC[C@H](C)O AMY11001 [2,0,0,0,0,0|0,0,2]=4 338 B4R0.1 CC[S@](=O)[O-] AMY15674 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.1 CNC(C)=O AMY4115 [2,0,0,0,0,0|1,0,0]=3 340 B4R0.1 CNC(N)=O AMY40217 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.1 COC(=N)N AM85805 [2,0,0,0,0,0|2,0,0]=4 342 B4R0.1 COC(=N)N AMY8981 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.1 COC(N)=O AMY4044 [2,0,0,0,0,0|1,0,0]=3 344 B4R0.1 NC(=O)CBr AM85872 [2,0,0,0,0,0|2,0,0]=4 345 B4R0.1 NC(=O)CCl AMY4113 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.1 NCC(=O)O AM81781 [2,0,0,0,0,0|2,0,0]=4 347 B4R0.1 NCC(=O)[O-] AMY37022 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.1 NCC(N)=O AM20080473 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.1 NCC(N)=O AMY20517 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.1 NCC(N)=O AMY22705 [2,0,0,0,0,0|2,0,0]=4 351 B4R0.1 O=C(Br)CBr AMY21867 [2,0,0,0,0,0|2,0,0]=4 352 B4R0.1 O=C(Cl)CBr AMY13645 [2,0,0,0,0,0|2,0,0]=4 353 B4R0.1 O=C(Cl)CCl AMY40193 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.1 O=C([O-])CS AMY25320 [2,0,0,0,0,0|2,0,0]=4 355 B4R0.1 [Li][C@@H](C)CC AMY14890 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.2 C#CCOC AMY1246 [2,0,0,0,0,0|0,0,2]=4 357 B4R0.2 C#COCC AMY33551 [2,0,0,0,0,0|0,0,2]=4 358 B4R0.2 C=CCCCl AMY11185 [2,0,0,0,0,0|1,0,1]=4 359 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|1,0,1]=4 360 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 361 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|0,0,2]=4 362 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|1,0,1]=4 365 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|1,0,1]=4 366 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,1]=4 367 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|2,0,0]=4 370 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|1,0,0]=3 371 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|1,0,0]=3 372 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|1,1,0]=4 373 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|1,1,0]=4 374 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|1,1,0]=4 375 B4R0.2 C\C=C\CCl AMY618 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.2 C\C=C\CO AMY21936 [2,0,0,0,0,0|1,0,1]=4 377 B4R0.2 NCCON AMY10143 [2,0,0,0,0,0|2,0,0]=4 378 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,1]=4 379 B6R0.1 C#CC(=O)OCC AM20100525 [1,1,0,0,0,0|0,0,1]=3 380 B6R0.1 C=CC(=O)NCC AMY36703 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.1 C=CC(=O)OCC AMY40211 [1,1,0,0,0,0|0,0,1]=3 382 B6R0.1 CC#CC(=O)OC AMY1234 [1,1,0,0,0,0|0,0,2]=4 383 B6R0.1 CCC(=O)CC#N AMY10591 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.1 CCNC(=O)CCl AM802871 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.1 CCNC(=O)NC AM85700 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.1 CCOC(=N)CCl AMY15738 [1,1,0,0,0,0|1,0,0]=3 387 B6R0.1 CCOC(=O)CBr AM20070701 [1,1,0,0,0,0|0,0,0]=2 388 B6R0.1 CCOC(=O)CC AMY21941 [1,1,0,0,0,0|0,0,0]=2 389 B6R0.1 CCOC(=O)CN AM81786 [1,1,0,0,0,0|0,0,0]=2 390 B6R0.1 CCOC(=O)NC AMY3767 [1,1,0,0,0,0|0,0,0]=2 391 B6R0.1 CCOC(=O)NN AMY23328 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.1 CC\C=C(/C)C=O AMY2564 [1,1,0,0,0,0|0,0,1]=3 393 B6R0.1 CNC(=O)CC#N AM20100565 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.1 CNCC(=O)OC AM82645 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.1 COC(=O)CCBr AMY21872 [1,1,0,0,0,0|1,0,0]=3 396 B6R0.1 COC(=O)CCN AM20090461 [1,1,0,0,0,0|1,0,0]=3 397 B6R0.1 COC(=O)CCO AM85845 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.1 COC(=O)CSC AMY10908 [1,1,0,0,0,0|1,0,0]=3 399 B6R0.1 COC(=O)OCCl AMY37648 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.1 COCC(=O)NN AMY3068 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.1 COCC(=O)OC AMY4063 [1,1,0,0,0,0|1,0,0]=3 402 B6R0.1 C\C=C\C(=O)OC AMY15442 [1,1,0,0,0,0|0,0,2]=4 403 B6R0.1 O=C(CCl)CCCl AM9592 [1,1,0,0,0,0|1,0,0]=3 404 B6R0.2 CC(=O)C=C(C)C AMY23356 [1,1,0,0,0,0|0,0,2]=4 405 B6R0.2 CC(=O)CC(C)C AMY11098 [1,1,0,0,0,0|0,0,0]=2 406 B6R0.2 CC(=O)NC(C)C AMY3785 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [1,1,0,0,0,0|0,0,2]=4 408 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [1,1,0,0,0,0|0,0,2]=4 409 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [1,1,0,0,0,0|0,0,2]=4 410 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [1,1,0,0,0,0|0,0,2]=4 411 B6R0.2 CC(C)CC(=O)O AMY40214 [1,1,0,0,0,0|1,0,0]=3 412 B6R0.2 CC(C)C[C@H](C)N AMY36830 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.2 CC(C)OC(=O)Cl AMY3776 [1,1,0,0,0,0|1,0,0]=3 414 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [1,1,0,0,0,0|1,0,0]=3 415 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.2 CN(C)CC(=O)O AM20080064 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.2 CN(C)CC(=O)O AM81799 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [1,1,0,0,0,0|2,0,0]=4 419 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,1,0,0,0,0|1,0,0]=3 421 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,1,0,0,0,0|1,0,0]=3 425 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,1,0,0,0,0|1,0,0]=3 426 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,1,0,0,0,0|1,0,0]=3 428 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,1,0,0,0,0|1,0,0]=3 429 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.2 C[C@H](O)CN(C)C AMY13331 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.2 O=C(O)CC(F)F AMY6157 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.3 CC(=O)C(=O)CBr AMY23002 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.3 CC(=O)C(=O)CCl AMY42031 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.3 CCC(=O)C(=O)O AM90224 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.3 CCC(=O)C(=O)[O-] AMY7718 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.3 CCC(=O)C(C)=O AMY4046 [1,1,0,0,0,0|0,0,1]=3 441 B6R0.3 CCN(C)C(=O)Cl AM20090787 [1,1,0,0,0,0|2,0,0]=4 442 B6R0.3 CCN(O)C(C)=O AMY33549 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.3 CC[C@@H](Br)C(=O)O AMY2458 [1,1,0,0,0,0|1,0,0]=3 444 B6R0.3 CC[C@@H](N)C(N)=O AMY725 [1,1,0,0,0,0|1,0,0]=3 445 B6R0.3 CC[C@H](Br)C(=O)O AM81433 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.3 CC[C@H](C)C(=O)O AM802977 [1,1,0,0,0,0|1,0,0]=3 447 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [1,1,0,0,0,0|1,0,0]=3 448 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [1,1,0,0,0,0|1,0,0]=3 450 B6R0.3 CC[C@H](N)C(N)=O AM20100759 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.3 CC[C@H](N)C(N)=O AM20120294 [1,1,0,0,0,0|1,0,0]=3 452 B6R0.3 CC[C@H](S)C(=O)O AMY2446 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.3 CN[C@@H](C)C(=O)O AM81482 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.3 CN[C@@H](C)C(=O)O AM82991 [1,1,0,0,0,0|2,0,0]=4 455 B6R0.3 CN[C@@H](C)C(=O)O AM9397 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.3 CN[C@@H](C)C(=O)[O-] AM9064 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.3 CN[C@H](C)C(=O)O AMY25382 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.3 COC(=O)C(C)=O AMY40825 [1,1,0,0,0,0|1,0,1]=4 459 B6R0.3 CON(C)C(C)=O AM1188 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.3 CO[C@H](C)C(=O)O AM84813 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.3 C[C@@H](CN)C(=O)O AMY22008 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.3 C[C@@H](CO)C(=O)O AMY18825 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.3 C\C=C(/C)C(C)=O AMY4030 [1,1,0,0,0,0|0,0,2]=4 464 B6R0.3 NC(=O)C(N)CO AM806435 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.3 NC(=O)[C@@H](N)CO AM20100594 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.3 NC[C@H](O)C(=O)O AM1113 [1,1,0,0,0,0|2,0,0]=4 470 B6R0.3 NC[C@H](O)C(=O)O AM82574 [1,1,0,0,0,0|2,0,0]=4 471 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [1,1,0,0,0,0|2,0,0]=4 472 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [1,1,0,0,0,0|2,0,0]=4 473 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [1,1,0,0,0,0|2,0,0]=4 474 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [1,1,0,0,0,0|2,0,0]=4 475 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [1,1,0,0,0,0|2,0,0]=4 480 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [1,1,0,0,0,0|2,0,0]=4 481 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [1,1,0,0,0,0|2,0,0]=4 482 B6R0.3 O=C(O)[C@@H](Br)CBr AM20100466 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.5 CCCS(=O)(=O)Cl AMY39421 [1,1,0,0,0,0|2,0,0]=4 484 B6R0.5 CCCS(N)(=O)=O AMY27802 [1,1,0,0,0,0|2,0,0]=4 485 B6R0.5 CCOS(C)(=O)=O AMY38422 [1,1,0,0,0,0|1,0,0]=3 486 B6R0.5 CCO[Si](C)(C)C AMY7005 [1,1,0,0,0,0|1,1,0]=4 487 B6R0.5 CS(=O)(=O)CCBr AMY20175 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.5 CS(=O)(=O)CCCl AM803975 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.5 CS(=O)(=O)CCN AM20070694 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.6 C=CCCCCBr AM84859 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.6 C=CCCCCO AM20100796 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.6 C=COCCCN AMY3063 [1,1,0,0,0,0|0,0,1]=3 493 B6R0.6 C=COCCON AMY3312 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.6 CCCCCCC AMY22304 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.6 CCCCCCN AMY21942 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.6 CCCCNCC AMY3985 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.6 CCCCON=O AMY4016 [1,1,0,0,0,0|1,0,0]=3 498 B6R0.6 CCOCCC#N AMY40959 [1,1,0,0,0,0|0,0,2]=4 499 B6R0.6 CCOCCCN AMY21920 [1,1,0,0,0,0|0,0,1]=3 500 B6R0.6 CCOCCCO AM20080058 [1,1,0,0,0,0|0,0,1]=3 501 B6R0.6 CCOCOCC AMY25683 [1,1,0,0,0,0|0,0,1]=3 502 B6R0.6 COCCCCBr AMY9376 [1,1,0,0,0,0|2,0,0]=4 503 B6R0.6 COCCCCO AM20080057 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.6 C\C=C\CCCO AMY2616 [1,1,0,0,0,0|1,0,0]=3 505 B6R0.6 ClCCOCCCl AMY9389 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.6 NCCOCCN AMY7556 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.6 NCCOCCO AMY18064 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.6 O=CCCCC=O AMY3308 [1,1,0,0,0,0|1,0,1]=4 509 B6R0.6 O=CCCCCCl AMY772 [1,1,0,0,0,0|1,0,0]=3 510 B6R0.6 OCCOCCBr AMY4498 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.6 OCCOCCCl AMY9387 [1,1,0,0,0,0|1,0,1]=4 512 B8R0.2 CCC(C)C(Br)C(=O)O AMY25125 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81860 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O AM81861 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81840 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AM81842 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.16 CC(=O)OC(C#N)C#N AM806507 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [0,2,0,0,0,0|1,0,1]=4 519 B8R0.19 CCC(=O)CC(=O)OC AMY21932 [0,2,0,0,0,0|1,0,1]=4 520 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.19 O=C(CBr)OC(=O)CBr AM806585 [0,2,0,0,0,0|1,0,1]=4 522 B8R0.19 O=C(CCl)OC(=O)CCl AMY18521 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.23 C=C(CC(C)C)C(=O)O AM806663 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.23 CC(=O)N[C@@H](C)C(C)=O AMY4869 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.23 CC(=O)O[C@@H](C)C(=O)O AMY24695 [0,2,0,0,0,0|1,0,1]=4 526 B8R0.23 CC(=O)O[C@@H](C)C(C)=O AM20080686 [0,2,0,0,0,0|0,0,1]=3 527 B8R0.23 CC(C)CC(=O)C(=O)[O-] AMY25700 [0,2,0,0,0,0|2,0,0]=4 528 B8R0.23 CC(C)C[C@H](N)C(=O)O AM20090485 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81870 [0,2,0,0,0,0|2,0,0]=4 530 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81871 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.23 CC(C)C[C@H](N)C(=O)O AMY22186 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.23 CC(C)C[C@H](N)C(N)=O AM81895 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.23 CC(C)C[C@H](O)C(=O)O AMY22161 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.1 CCC#CC(=O)OCC AMY1274 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.1 CCOC(=O)CCCBr AM84904 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.1 CCOC(=O)CCCN AM808169 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.1 CCOC(=O)CCCO AMY4323 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.1 CCOCC(=O)OCC AMY4116 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.3 CCN[C@@H](C)C(=O)OC AM20120635 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.3 CCOC(=O)C(=O)CBr AMY866 [0,2,0,0,0,0|2,0,0]=4 545 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [0,2,0,0,0,0|2,0,0]=4 546 B8R0.3 COC(=O)[C@@H](Br)CCBr AMY30914 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,2,0,0,0,0|1,0,0]=3 548 B8R0.6 CCNCCC(=O)OC AMY20543 [0,2,0,0,0,0|1,0,0]=3 549 B8R0.6 COC(=O)CCCCBr AM20120637 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,2,0,0,0,0|2,0,0]=4 551 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.8 C=C(C)C(=O)OCCN AM10040 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.8 C=C(C)C(=O)OCCN AM90246 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.8 C=CCOC(=O)C(=C)C AMY4149 [0,2,0,0,0,0|0,0,2]=4 556 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,2,0,0,0,0|1,0,1]=4 557 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [0,2,0,0,0,0|1,0,1]=4 558 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,2,0,0,0,0|1,0,0]=3 559 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [0,2,0,0,0,0|2,0,0]=4 562 B8R0.8 CSCC[C@H](N)C(=O)O AM20100433 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.8 CSCC[C@H](N)C(=O)O AM20100552 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.8 CSCC[C@H](N)C(=O)O AM81977 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.8 C[Se]CC[C@H](N)C(=O)O AMY18854 [0,2,0,0,0,0|2,0,0]=4 566 B8R0.8 NCCC[C@H](N)C(=O)O AM20080016 [0,2,0,0,0,0|2,0,0]=4 567 B8R0.8 NCCC[C@H](N)C(=O)O AM20090455 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.8 NCCC[C@H](N)C(=O)O AM82603 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.9 CC(=O)OCC(=O)CCl AMY14363 [0,2,0,0,0,0|0,0,1]=3 570 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,2,0,0,0,0|2,0,0]=4 571 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,2,0,0,0,0|0,0,0]=2 572 B8R0.9 COC(=O)CCN(C)C AM807052 [0,2,0,0,0,0|2,0,0]=4 573 B8R0.7 C=CCCCCC(=O)O AMY7501 [0,2,0,0,0,0|2,0,0]=4 574 B8R0.7 CC(=O)CCCCCBr AMY24068 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.7 CC(=O)OCCCC=O AM10056 [0,2,0,0,0,0|0,0,0]=2 576 B8R0.7 CCCCCCC(=O)O AMY41347 [0,2,0,0,0,0|2,0,0]=4 577 B8R0.7 NCCCCCC(=O)O AM82438 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.7 NCCCCCC(=O)O AMY977 [0,2,0,0,0,0|2,0,0]=4 579 B8R0.7 NCCOCCC(=O)O AMY4548 [0,2,0,0,0,0|2,0,0]=4 580 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [0,2,0,0,0,0|2,0,0]=4 581 B8R0.7 O=C(O)CCCCCBr AM20100119 [0,2,0,0,0,0|2,0,0]=4 582 B8R0.7 O=C(O)CCCCCO AM10824 [0,2,0,0,0,0|2,0,0]=4 583 B8R0.7 O=C(O)CCOCCO AMY4563 [0,2,0,0,0,0|2,0,0]=4 584 B8R0.7 O=CCCCCC(=O)O AM84276 [0,2,0,0,0,0|2,0,0]=4 585 B8R0.21 CCCCOS(C)(=O)=O AMY3886 [0,2,0,0,0,0|1,0,0]=3 586 B8R0.21 COCCOS(C)(=O)=O AM778 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.28 CC(=O)CCCC(=O)[O-] AMY19481 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.28 CC(=O)NCCC(=O)O AM83102 [0,2,0,0,0,0|1,0,1]=4 590 B8R0.28 CC(C)COCC(=O)O AM85004 [0,2,0,0,0,0|1,0,0]=3 591 B8R0.28 CN(C)CCCC(=O)O AMY31363 [0,2,0,0,0,0|2,0,0]=4 592 B8R0.15 CCC[C@H](NC)C(=O)O AM9227 [0,2,0,0,0,0|2,0,0]=4 593 B8R0.29 CC(=O)CSC(C)(C)C AMY32434 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.29 CC(=O)OC[B-](F)(F)F AMY21722 [0,2,0,0,0,0|2,0,0]=4 595 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,1,0,0|1,0,1]=4 596 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,1,0,0|1,0,1]=4 597 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,1,0,0|2,0,0]=4 598 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|1,0,0]=3 599 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,1,0,0|1,0,0]=3 600 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,1,0,0|1,1,0]=4 601 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|1,0,1]=4 602 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,1,0,0|2,0,0]=4 603 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,1,0,0|1,0,1]=4 604 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,1,0,0|1,0,1]=4 605 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,1,0,0|1,0,1]=4 606 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,1,0,0|1,0,1]=4 607 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,1,0,0|1,0,1]=4 608 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,1,0,0|0,0,2]=4 609 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,1,0,0|1,0,1]=4 610 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,1,0,0|1,0,1]=4 611 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,1,0,0|1,0,0]=3 612 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,1,0,0|1,0,1]=4 613 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|0,0,2]=4 614 B6R1.2 O=C1C=CCO1 AM20100212 [1,0,0,1,0,0|0,0,2]=4 615 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,1,0,0|0,0,0]=2 616 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,1,0,0|1,0,0]=3 617 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,1,0,0|1,0,0]=3 618 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,1,0,0|1,0,0]=3 619 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,1,0,0|2,0,0]=4 620 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,1,0,0|1,0,0]=3 621 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,1,0,0|1,0,0]=3 622 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,1,0,0|2,0,0]=4 623 B6R1.2 O=C1NCCN1 AM20080146 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|1,0,0]=3 625 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,1,0,0|0,0,2]=4 626 B6R1.2 O[C@@H]1CCCO1 AMY20193 [1,0,0,1,0,0|0,0,2]=4 627 B6R1.5 C=C1CC(N)C1 AM84287 [1,0,0,1,0,0|2,0,0]=4 628 B6R1.5 C=C1CC(N)C1 AM84288 [1,0,0,1,0,0|2,0,0]=4 629 B6R1.5 CC1CC(=O)C1 AM806996 [1,0,0,1,0,0|0,0,0]=2 630 B6R1.5 NC1CC(=O)C1 AM20070559 [1,0,0,1,0,0|1,0,0]=3 631 B6R1.5 O=C1CC(O)C1 AMY33736 [1,0,0,1,0,0|1,0,0]=3 632 B6R1.10 CC1(N)CCC1 AM808140 [1,0,0,1,0,0|1,0,1]=4 633 B6R1.10 CC1(N)CCC1 AMY1785 [1,0,0,1,0,0|1,0,1]=4 634 B6R1.10 O=S1(=O)CCC1 AM20100397 [1,0,0,1,0,0|2,0,0]=4 635 B6R1.11 CC(=O)C1CC1 AM83286 [1,0,0,1,0,0|0,0,0]=2 636 B6R1.11 C[C@H](N)C1CC1 AM804149 [1,0,0,1,0,0|1,0,1]=4 637 B6R1.11 C[C@H](N)C1CC1 AM806511 [1,0,0,1,0,0|1,0,1]=4 638 B6R1.11 C[C@H](O)C1CC1 AM804334 [1,0,0,1,0,0|0,0,2]=4 639 B6R1.11 N=C(N)C1CC1 AM804064 [1,0,0,1,0,0|2,0,0]=4 640 B6R1.11 N=C(N)C1CC1 AMY202003285 [1,0,0,1,0,0|2,0,0]=4 641 B6R1.11 NC(=O)C1CC1 AM20100524 [1,0,0,1,0,0|1,0,0]=3 642 B6R1.11 NC(=O)[C@@H]1CN1 AMY19258 [1,0,0,1,0,0|2,0,0]=4 643 B6R1.11 NC(=S)C1CC1 AMY30195 [1,0,0,1,0,0|1,1,0]=4 644 B6R1.11 O=C(Cl)C1CC1 AMY3975 [1,0,0,1,0,0|1,0,0]=3 645 B6R1.11 O=C(O)C1CC1 AM83282 [1,0,0,1,0,0|1,0,0]=3 646 B6R1.11 O=C([O-])[C@@H]1CO1 AM85800 [1,0,0,1,0,0|2,0,0]=4 647 B6R1.11 O=[S@]([O-])C1CC1 AMY20620 [1,0,0,1,0,0|2,0,0]=4 648 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|1,0,0]=3 649 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|2,0,0]=4 650 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|2,0,0]=4 651 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|2,0,0]=4 652 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|0,0,1]=3 653 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,1,0,0|2,0,0]=4 654 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,1,0,0|1,0,1]=4 655 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,1,0,0|1,0,1]=4 656 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,1,0,0|2,0,0]=4 657 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|0,0,1]=3 658 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|1,0,0]=3 659 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|1,0,0]=3 660 B6R1.1 C1CNCOC1 AMY28616 [1,0,0,1,0,0|1,0,1]=4 661 B6R1.1 C1COCCN1 AMY14878 [1,0,0,1,0,0|1,0,1]=4 662 B6R1.1 C1COCCN1 AMY22834 [1,0,0,1,0,0|1,0,1]=4 663 B6R1.1 C1COCCN1 AMY721 [1,0,0,1,0,0|1,0,1]=4 664 B6R1.1 C1COCCO1 AMY33329 [1,0,0,1,0,0|1,0,1]=4 665 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|1,0,1]=4 666 B6R1.6 BrC[C@H]1CCO1 AM20020056 [1,0,0,1,0,0|1,0,1]=4 667 B6R1.6 ClC[C@H]1CCO1 AM807017 [1,0,0,1,0,0|1,0,1]=4 668 B6R1.6 IC[C@H]1CCO1 AM20020012 [1,0,0,1,0,0|1,0,1]=4 669 B6R1.6 NC[C@H]1CCO1 AM20020052 [1,0,0,1,0,0|1,0,1]=4 670 B6R1.6 O=CC1CCC1 AM90197 [1,0,0,1,0,0|1,0,0]=3 671 B6R1.6 O=CC1COC1 AMY38489 [1,0,0,1,0,0|2,0,0]=4 672 B6R1.6 OC[C@H]1CCO1 AM807004 [1,0,0,1,0,0|1,0,1]=4 673 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,1,0,0|0,0,0]=2 674 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [0,1,0,1,0,0|0,0,2]=4 681 B8R1.1 O=C1C=C[C@@H](CO)O1 AMY42490 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,1,0,0|0,0,0]=2 687 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,1,0,1,0,0|1,0,0]=3 692 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,1,0,1,0,0|1,0,1]=4 694 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,1,0,0|1,0,1]=4 696 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,1,0,0|1,0,0]=3 701 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AMY202003236 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.4 C[C@H]1COC[C@H](C)N1 AM10860 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,1,0,1,0,0|1,0,1]=4 712 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,1,0,1,0,0|0,0,1]=3 713 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,1,0,0|1,0,1]=4 714 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|1,0,0]=3 717 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [0,1,0,1,0,0|0,0,2]=4 718 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.18 C[C@@H]1NC(=O)OC1=O AM84795 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.31 CC1CCC1C(=O)O AM807028 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.31 CC1NCC1C(=O)O AMY35766 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O AMY35641 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.34 CC(=O)C=C1COC1 AMY5443 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.34 CC(=O)NC1CNC1 AMY34221 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.34 O=C(O)C=C1CCC1 AMY33602 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.34 O=C(O)CC1CCC1 AM807029 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.34 O=C(O)CC1CNC1 AMY33688 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.34 O=C(O)CC1CNC1 AMY38757 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.34 O=C(O)CC1COC1 AMY19671 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.40 COC(=O)CC1CC1 AMY34208 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.40 O=C(CCl)NC1CC1 AM86723 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.51 CC1=NC(C)(C)CO1 AMY3877 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.51 C[C@@H]1COS(=O)(=O)O1 AMY30214 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.51 C[C@H]1CCS(=O)(=O)O1 AMY1253 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.2 CSC1=NCCCN1 AMY7072 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.2 ClCC1OCCCO1 AM81012 [0,1,0,1,0,0|0,0,2]=4 744 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.2 N#CC1=CCCCO1 AMY25029 [0,1,0,1,0,0|1,0,1]=4 746 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,1,0,1,0,0|0,0,2]=4 748 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.2 O=CN1CCCCC1 AMY3400 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,1,0,0|0,0,2]=4 755 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,1,0,1,0,0|1,0,1]=4 763 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.5 CC1=NCCCN1C AM20100127 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.5 CN1CCNCC1=O AM20100457 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.5 CN1CCNCC1=O AMY39473 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,1,0,0|1,0,0]=3 786 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,1,0,1,0,0|1,0,1]=4 792 B8R1.22 O=C1CCCCCC1 AMY3995 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.22 O=C1CCCCCN1 AM802872 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.22 O=C1CCCNCC1 AM20100232 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.22 O=C1CCNCCN1 AM20090172 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.22 O=C1CCNCCN1 AM85736 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.22 O=C1CNCCCN1 AM804637 [0,1,0,1,0,0|1,0,0]=3 798 B8R1.38 CNC(=O)C1CCC1 AMY32244 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.38 COC(=O)C1CCC1 AM20070621 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.38 COC(=O)C1CNC1 AM20070638 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.38 COC(=O)C1CNC1 AMY4957 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.38 COC(=O)[C@@H]1CCN1 AMY38525 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.38 COC(=O)[C@@H]1CCN1 AMY6585 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.38 COC(=O)[C@H]1CCN1 AMY38522 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.38 NNC(=O)C1CCC1 AM20070630 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.38 O=C(CBr)N1CCC1 AMY15408 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.38 O=C(CCl)N1CCC1 AM804165 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,1,0,0|0,0,1]=3 809 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.50 O=C1COC(=O)[C@H]1Br AM807274 [0,1,0,1,0,0|1,0,1]=4 812 B8R1.52 C[C@@]1(C#N)CCCO1 AMY3382 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.52 C[C@]1(CN)CCCO1 AM20100681 [0,1,0,1,0,0|1,0,1]=4 814 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.7 CC(=O)C1=NCCS1 AMY14187 [0,1,0,1,0,0|1,1,0]=4 817 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.7 CC(=O)[C@H]1CCOC1 AMY6005 [0,1,0,1,0,0|1,0,0]=3 819 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20080102 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100548 [0,1,0,1,0,0|2,0,0]=4 821 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100732 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82205 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82206 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.7 NC(=O)[C@H]1CCNC1 AM20100187 [0,1,0,1,0,0|2,0,0]=4 825 B8R1.7 NC(=O)[C@H]1CCNC1 AM81209 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.7 O=C(Cl)N1CCCC1 AMY737 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.7 O=C(Cl)[C@@H]1CCCO1 AMY8077 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.7 O=C(O)C1CCCC1 AM83283 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,1,0,1,0,0|1,1,0]=4 838 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100448 [0,1,0,1,0,0|2,0,0]=4 839 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100693 [0,1,0,1,0,0|2,0,0]=4 840 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100694 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.7 O=C(O)[C@H]1CCNC1 AM20120375 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.7 O=C(O)[C@H]1CCOC1 AM20090011 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.7 O=C(O)[C@H]1CCOC1 AM20100615 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.7 O=C(O)[C@H]1CCOC1 AM20120290 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.35 O=C(O)CCC1CC1 AM8844 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.35 O=C(O)\C=C\C1CC1 AMY34843 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.72 CC1(C)CNCCO1 AM20080363 [0,1,0,1,0,0|1,0,1]=4 848 B8R1.72 CC1(C)CNCCO1 AMY34686 [0,1,0,1,0,0|1,0,1]=4 849 B8R1.72 O=S1(=O)CCCCN1 AM803804 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.23 CC(=O)N1CC(N)C1 AMY34514 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.23 CC(=O)N1CC(O)C1 AMY4420 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [0,1,0,1,0,0|2,0,0]=4 855 B8R1.23 NC1CC(C(=O)O)C1 AM20070624 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.23 NC1CC(C(=O)O)C1 AM85612 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AM20070631 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 AMY31853 [0,1,0,1,0,0|2,0,0]=4 859 B8R1.23 O=C(O)C1CC(F)C1 AM85510 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.23 O=C(O)C1CC(O)C1 AM20070602 [0,1,0,1,0,0|2,0,0]=4 861 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AM10828 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 AM807032 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.54 N[C@H](C(=O)O)C1CC1 AM803956 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY14385 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.54 N[C@H](C(=O)O)C1CC1 AMY36516 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.54 O=C(O)C(=O)C1CC1 AM86577 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.78 CC1(C(=O)O)CCC1 AMY33490 [0,1,0,1,0,0|2,0,0]=4 868 B8R1.78 NC1(C(=O)O)CCC1 AM20070607 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.78 NC1(C(=O)O)CCC1 AMY16489 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.78 O=C(O)C1(Br)CCC1 AMY40623 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.78 O=C(O)C1(O)CCC1 AMY23436 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [0,1,0,1,0,0|2,0,0]=4