0 B8R0.9 C=CC(=O)NCC(N)=O AMY39123 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.9 C=C[C@@H](N)CCC(=O)O AMY6474 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 NCC(=O)CCC(=O)O AM20100341 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 C#CCCCC(=O)O AM81010 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.4 C=CCCCC(=O)O AMY759 [1,0,0,0,0,0|0,0,0]=1 7 B7R0.4 C=CCNCC(=O)O AMY22559 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 CC(=O)CCCCCl AM90172 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCOCC(=O)O AMY4018 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CNCCCC(=O)O AMY5046 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 N#CCCCC(=O)O AMY16028 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 NCCCCC(=O)O AM82459 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 NCCCCC(=O)O AMY39227 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 O=C(O)CCCCBr AM85660 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 O=C(O)CCCCCl AMY40897 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 O=C(O)COCCCl AMY28725 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 [N-]=[N+]=NCCC(=O)O AMY21581 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.6 CC(=O)CCC(=O)O AM20080171 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.6 CC(C)OCC(=O)O AMY4704 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.6 CN(C)CCC(=O)O AM86616 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AM20100425 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AM81758 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AM81759 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.7 NC(=O)CC[C@H](N)C(=O)O AMY22184 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.7 NC(=O)CC[C@H](N)C(N)=O AMY22734 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.7 NC(=O)NC[C@H](N)C(=O)O AMY22571 [0,1,0,0,0,0|3,0,0]=4 30 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AM20100640 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AM81690 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AMY25301 [0,1,0,0,0,0|1,0,0]=2 33 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AMY25304 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AMY25313 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] AMY22187 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.7 O=C(O)CCC(=O)C(=O)O AM20090486 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] AMY7479 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.1 O=CC1CCC(=O)CC1 AMY10974 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 CC1CNC(C(=O)O)C1 AMY27459 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.35 NC1CCC(C(=O)O)C1 AMY20253 [0,0,0,1,0,0|0,0,2]=3 41 B9R1.35 NC1CCC(C(=O)O)C1 AMY34078 [0,0,0,1,0,0|0,0,2]=3 42 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY21334 [0,0,0,1,0,0|0,0,2]=3 43 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY35677 [0,0,0,1,0,0|0,0,2]=3 44 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21402 [0,0,0,1,0,0|0,0,2]=3 45 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21662 [0,0,0,1,0,0|0,0,2]=3 46 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 AMY21986 [0,0,0,1,0,0|1,0,1]=3 47 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 AM84581 [0,0,0,1,0,0|0,0,0]=1 48 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 AMY3337 [0,0,0,1,0,0|0,0,0]=1 49 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21371 [0,0,0,1,0,0|0,0,2]=3 50 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21403 [0,0,0,1,0,0|0,0,2]=3 51 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 AMY21335 [0,0,0,1,0,0|0,0,2]=3 52 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AMY13640 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AMY34398 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM20080324 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM808153 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AM81829 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AMY202003265 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AMY13595 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AMY34399 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20090318 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20100144 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM20100769 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AM808165 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 AMY13641 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 AMY202003252 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O AMY503 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.69 N[C@H]1CCC(=O)NC1=O AM20090686 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.69 N[C@H]1CCC(=O)NC1=O AM84858 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 AMY27374 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.95 COC1CC(C(=O)O)C1 AM85782 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.95 O=C(O)C1CC(CBr)C1 AM20070562 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.95 O=C(O)C1CC(CO)C1 AM85445 [0,0,0,1,0,0|2,0,1]=4 73 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,0,0,0,1,0|1,0,2]=4 74 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,0,0,0,1,0|1,0,1]=3 75 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,0,0,0,1,0|1,0,1]=3 76 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,0,0,0,1,0|1,0,1]=3 77 B6R0.4 C=CCCC(=O)Cl AMY808 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.4 C=CCCC(=O)O AMY12553 [2,0,0,0,0,0|0,0,0]=2 79 B6R0.4 C=CCCC(C)=O AM84335 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.4 C=CCOC(=O)Cl AMY3928 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.4 C=CCOC(C)=O AMY22115 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 C=CNCC(=O)O AMY22733 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.4 CC(=O)NCCN AMY40665 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 CCCCC(=O)[O-] AMY026 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.4 CCOCC(=O)O AMY4062 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.4 CCSCC(=O)O AM20100532 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 CNCCC(=O)O AM84855 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.4 COCCC(=O)O AMY2689 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.4 NCCCC(=O)O AM20100372 [2,0,0,0,0,0|0,0,0]=2 90 B6R0.4 NCCCC(N)=O AMY15220 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.4 O=C(Cl)CCCCl AMY25684 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.4 O=C(O)CCCS AM20080221 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.6 C=CCCCCBr AM84859 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.6 C=CCCCCO AM20100796 [2,0,0,0,0,0|0,0,1]=3 95 B6R0.6 C=CCNCC=C AMY22157 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.6 C=CCNCC=C AMY25549 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.6 O=CCCCC=O AMY3308 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.6 O=CCCCCCl AMY772 [2,0,0,0,0,0|1,0,1]=4 99 B8R0.8 C=CCC[C@@H](N)C(=O)O AM10082 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.7 C=CCCCCC(=O)O AMY7501 [1,1,0,0,0,0|0,0,0]=2 101 B8R0.7 CC(=O)OCCCC=O AM10056 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.7 CCCCCCC(=O)O AMY41347 [1,1,0,0,0,0|0,0,2]=4 103 B8R0.7 NCCCCCC(=O)O AM82438 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.7 NCCCCCC(=O)O AMY977 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.7 NCCOCCC(=O)O AMY4548 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.7 O=C(O)CCCCCBr AM20100119 [1,1,0,0,0,0|0,0,2]=4 107 B8R0.7 O=C(O)CCCCCO AM10824 [1,1,0,0,0,0|0,0,2]=4 108 B8R0.7 O=C(O)CCOCCO AMY4563 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.7 O=CCCCCC(=O)O AM84276 [1,1,0,0,0,0|0,0,1]=3 110 B8R0.7 [N-]=[N+]=NCCCC(=O)O AMY21579 [1,1,0,0,0,0|2,0,0]=4 111 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.28 CC(=O)CCCC(=O)[O-] AMY19481 [1,1,0,0,0,0|0,0,2]=4 113 B8R0.28 CC(=O)NCCC(=O)O AM83102 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.28 CN(C)CCCC(=O)O AMY31363 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.28 N=C(N)NCCC(=O)O AMY22177 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.28 NC(=O)CCCC(N)=O AMY16238 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.28 O=C(O)COCC(=O)O AMY41875 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.23 CC(C)C[C@H](N)C(=O)O AM20090485 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81870 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81871 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.23 CC(C)C[C@H](N)C(=O)O AMY22186 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.23 CC(C)C[C@H](O)C(=O)O AMY22161 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM20090442 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM20100419 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM81553 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM81554 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.23 NC(=O)C[C@H](N)C(=O)O AM81555 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.29 NS(=O)(=O)CCC(=O)O AM20080397 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl AMY19885 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.29 O=C(O)CCC(F)(F)F AMY6768 [1,1,0,0,0,0|2,0,0]=4 134 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O AM82414 [0,1,0,0,0,1|1,0,0]=3 135 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O AMY25318 [0,1,0,0,0,1|1,0,0]=3 136 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O AMY3878 [0,1,0,0,0,1|2,0,0]=4 137 B10R0.43 CC(C)(CCC(=O)O)C(=O)O AMY4080 [0,2,0,0,0,0|2,0,0]=4 138 B10R0.43 NC(N)(CCC(=O)O)C(=O)O AM82504 [0,2,0,0,0,0|1,0,0]=3 139 B10R0.43 O=C(O)CCC(F)(F)C(=O)O AMY40980 [0,2,0,0,0,0|2,0,0]=4 140 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O AM9408 [0,2,0,0,0,0|1,0,0]=3 141 B10R0.84 CN[C@@H](CCC(N)=O)C(=O)O AMY25332 [0,2,0,0,0,0|2,0,0]=4 142 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O AMY13623 [0,2,0,0,0,0|1,0,0]=3 143 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O AM807295 [0,2,0,0,0,0|2,0,0]=4 144 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O AMY19333 [0,2,0,0,0,0|2,0,0]=4 145 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O AMY2449 [0,2,0,0,0,0|1,0,1]=4 146 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 AMY33458 [1,0,0,1,0,0|0,0,1]=3 149 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AMY14944 [1,0,0,1,0,0|0,0,1]=3 150 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.3 NC1CCC(=O)CC1 AM101128 [1,0,0,1,0,0|0,0,2]=4 155 B8R1.3 NC1CCC(=O)CC1 AMY42375 [1,0,0,1,0,0|0,0,2]=4 156 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.4 O=C1CCCC(=O)N1 AMY400 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [1,0,0,1,0,0|0,0,2]=4 162 B8R1.7 O=C(O)C1CC=CC1 AM20100760 [1,0,0,1,0,0|0,0,2]=4 163 B8R1.7 O=C(O)C1CCCC1 AM83283 [1,0,0,1,0,0|0,0,2]=4 164 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100448 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100693 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100694 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.7 O=C(O)[C@H]1CCNC1 AM20120375 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.7 O=C(O)[C@H]1CCOC1 AM20090011 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.7 O=C(O)[C@H]1CCOC1 AM20100615 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.7 O=C(O)[C@H]1CCOC1 AM20120290 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.31 CC1CCC1C(=O)O AM807028 [1,0,0,1,0,0|0,0,2]=4 180 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O AMY35641 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.34 O=C(O)CC1CCC1 AM807029 [1,0,0,1,0,0|0,0,2]=4 182 B8R1.34 O=C(O)CC1CNC1 AMY33688 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.34 O=C(O)CC1CNC1 AMY38757 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.34 O=C(O)CC1COC1 AMY19671 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.35 O=C(O)CCC1CC1 AM8844 [1,0,0,1,0,0|0,0,2]=4 186 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O AMY12294 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.23 C=C1CC(C(=O)O)C1 AM20070595 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.23 NC1CC(C(=O)O)C1 AM20070624 [1,0,0,1,0,0|0,0,1]=3 192 B8R1.23 NC1CC(C(=O)O)C1 AM85612 [1,0,0,1,0,0|0,0,1]=3 193 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AM20070631 [1,0,0,1,0,0|0,0,1]=3 194 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 AMY31853 [1,0,0,1,0,0|0,0,1]=3 195 B8R1.23 O=C(O)C1CC(F)C1 AM85510 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.23 O=C(O)C1CC(O)C1 AM20070602 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AM10828 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 AM807032 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM20080461 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.23 O=C1C[C@@H](C(=O)O)N1 AM80921 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.77 O=C(O)C1CC1(F)Cl AMY5851 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.77 O=C(O)[C@@H]1CC1(F)F AMY35689 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.77 O=C(O)[C@H]1CC1(F)F AMY3255 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.77 O=C(O)[C@H]1CC1(F)F AMY34325 [1,0,0,1,0,0|2,0,0]=4 206 B10R1.13 NC1CCC(C(=O)O)CC1 AM9683 [0,0,0,1,0,1|0,0,2]=4 207 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 AM9731 [0,0,0,1,0,1|0,0,2]=4 208 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 AMY11829 [0,0,0,1,0,1|0,0,2]=4 209 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AM20070477 [0,0,0,1,0,1|0,0,2]=4 210 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AM20112001 [0,0,0,1,0,1|0,0,2]=4 211 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 AMY34342 [0,0,0,1,0,1|2,0,0]=4 212 B10R1.54 NC1=NN(CC(=O)O)C=C1 AMY14956 [0,0,0,1,0,1|1,0,1]=4 213 B10R1.349 O=C(O)C1CC(C(=O)O)C1 AM85850 [0,1,0,1,0,0|2,0,0]=4 214 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 AM85897 [0,1,0,1,0,0|2,0,0]=4 215 B10R1.169 COC(=O)C1CC(C=O)C1 AM85999 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.169 COC(=O)[C@H]1C[C@H](C=O)C1 AM85572 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.113 NC1CCCC(C(=O)O)C1 AM9709 [0,1,0,1,0,0|0,0,2]=4 218 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AMY41372 [0,1,0,1,0,0|0,0,2]=4 219 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AM9711 [0,1,0,1,0,0|0,0,2]=4 220 B10R1.66 O=C(O)CCC1=CC=CN1 AM803865 [0,1,0,1,0,0|0,0,1]=3 221 B10R1.66 O=C(O)CCC1=CC=CS1 AMY37950 [0,1,0,1,0,0|1,0,1]=4 222 B10R1.66 O=C(O)CCC1=CNC=C1 AMY32093 [0,1,0,1,0,0|0,0,1]=3 223 B10R1.66 O=C(O)CCC1=CNC=N1 AM802898 [0,1,0,1,0,0|0,0,2]=4 224 B10R1.66 O=C(O)CCC1=CSC=C1 AMY37949 [0,1,0,1,0,0|1,0,1]=4 225 B10R1.66 O=C(O)CCC1=NC=CS1 AM20080334 [0,1,0,1,0,0|0,0,2]=4 226 B10R1.66 O=C(O)CCN1C=CC=C1 AMY20616 [0,1,0,1,0,0|2,0,0]=4 227 B6R0.2 CC(C)CC(=O)O AMY40214 [1,0,0,0,1,0|1,0,1]=4 228 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [1,0,0,0,1,0|1,0,1]=4 229 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [1,0,0,0,1,0|0,0,1]=3 230 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [1,0,0,0,1,0|0,0,1]=3 231 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [1,0,0,0,1,0|0,0,1]=3 232 B6R0.2 C[C@H](N)CC(=O)O AM804090 [1,0,0,0,1,0|0,0,1]=3 233 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [1,0,0,0,1,0|1,0,1]=4 234 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [1,0,0,0,1,0|1,0,1]=4 235 B6R0.2 O=C(O)CC(F)F AMY6157 [1,0,0,0,1,0|2,0,0]=4 236 B6R0.3 CC[C@H](N)C(=O)O AM20080375 [0,0,0,0,2,0|0,0,2]=4 237 B6R0.3 CC[C@H](N)C(=O)O AM20090323 [0,0,0,0,2,0|0,0,2]=4 238 B6R0.3 CC[C@H](N)C(=O)O AM20090360 [0,0,0,0,2,0|0,0,2]=4 239 B6R0.3 NC[C@H](N)C(=O)O AM20080367 [0,0,0,0,2,0|1,0,1]=4 240 B6R0.3 NC[C@H](N)C(=O)O AM20100354 [0,0,0,0,2,0|1,0,1]=4 241 B6R0.3 NC[C@H](N)C(=O)O AM20100470 [0,0,0,0,2,0|1,0,1]=4 242 B6R0.3 N[C@@H](CCl)C(=O)O AMY22074 [0,0,0,0,2,0|1,0,1]=4 243 B6R0.3 N[C@@H](CCl)C(=O)O AMY22075 [0,0,0,0,2,0|1,0,1]=4 244 B6R0.3 N[C@@H](CO)C(=O)O AM20090412 [0,0,0,0,2,0|1,0,1]=4 245 B6R0.3 N[C@@H](CO)C(=O)O AM20090441 [0,0,0,0,2,0|1,0,1]=4 246 B6R0.3 N[C@@H](CO)C(=O)O AM20100375 [0,0,0,0,2,0|1,0,1]=4 247 B6R0.3 N[C@@H](CS)C(=O)O AM20070682 [0,0,0,0,2,0|1,0,1]=4 248 B6R0.3 N[C@@H](CS)C(=O)O AM81647 [0,0,0,0,2,0|1,0,1]=4 249 B6R0.3 N[C@@H](CS)C(=O)O AM81648 [0,0,0,0,2,0|1,0,1]=4 250 B6R0.3 N[C@@H](CS)C(=O)O AM81649 [0,0,0,0,2,0|1,0,1]=4 251 B6R0.3 N[C@@H](CS)C(=O)O AM81651 [0,0,0,0,2,0|1,0,1]=4 252 B6R0.3 N[C@H](CCl)C(=O)O AMY19767 [0,0,0,0,2,0|1,0,1]=4