0 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)[O-] AMY19481 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)NCCC(=O)O AM83102 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(C)CCC[C@H](C)N AMY4015 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 CC(C)COCC(=O)O AM85004 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.28 CN(C)CCCC(=O)O AMY31363 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.28 CN(C)C\C=C\C(=O)Cl AMY14966 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.28 CN(C)C\C=C\C(=O)O AM20120398 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CC(=O)CCCCCl AM90172 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 CC(=O)NCCCN AMY36360 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CC(C)CCON=O AMY3781 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 CCCCC[C@@H](C)O AMY25723 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CCCCC[C@H](C)N AMY3809 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CCCCOC(C)=O AMY11075 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.4 CCCOCC(=O)O AMY4018 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 CNCCCC(=O)O AMY5046 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 CNCCCN(C)C AMY28735 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 CNCCOC(C)=O AMY15057 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.4 COCCCN(C)C AMY1821 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 NCCCCC(=O)O AM82459 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 NCCCCC(=O)O AMY39227 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 O=C(Cl)CCCCBr AM85775 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.4 O=C(Cl)CCCCCl AMY12305 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.4 O=C(O)CCCCBr AM85660 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 O=C(O)CCCCCl AMY40897 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.1 CC(C)=CCC[C@H](C)C=O AMY25518 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.53 CC(C)C[C@H](N)CC(=O)O AM20090584 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.53 CC(C)C[C@H](N)CC(=O)O AMY14352 [0,1,0,0,0,0|2,0,0]=3 28 B9R0.56 CC(=O)OCC[B-](F)(F)F AMY1141 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.56 CC(=O)OCC[N+](C)(C)C AM20080864 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.56 CC(=O)SCC[N+](C)(C)C AMY27039 [0,1,0,0,0,0|1,1,0]=3 31 B9R0.56 CC(=O)SCC[N+](C)(C)C AMY27054 [0,1,0,0,0,0|1,1,0]=3 32 B9R0.56 CC(C)(C)CNCC(=O)O AMY28474 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.35 CC(=O)N1CCC(=O)C1 AM100682 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM95037 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96640 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96910 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM91958 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM95359 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM96637 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM93701 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96019 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96646 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM101330 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90401 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90424 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.35 CC(=O)N1CC[C@H](O)C1 AM101587 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.35 CC(=O)N1CC[C@H](O)C1 AMY20010 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.35 CC(C)[C@@H]1COC(=O)N1 AM81454 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.35 CC(C)[C@@H]1COC(=O)N1 AM81455 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.35 CC1CNC(C(=O)O)C1 AMY27459 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.35 CN1CC[C@H](C(=O)O)C1 AM20100095 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.35 CN1CC[C@H](C(=O)O)C1 AM20120524 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.35 NC1CCC(C(=O)O)C1 AMY20253 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.35 NC1CCC(C(=O)O)C1 AMY34078 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY21334 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AMY35677 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21402 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AMY21662 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21371 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AMY21403 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 AMY21335 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.35 O=C1N[C@H](C(F)F)CO1 AMY16832 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 AM20090365 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.53 NC1CC(CC(=O)O)C1 AM85571 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 AMY34050 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,0,0,1,0,0|1,0,0]=2 71 B9R1.66 CC1(C)C[C@@H](O)CCO1 AMY9124 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.66 CN1CCO[Si](C)(C)C1 AM84306 [0,0,0,1,0,0|2,1,0]=4 73 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,0,0,1,0,0|1,0,0]=2 74 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,0,0,0,1,0|2,0,1]=4 75 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,0,0,0,1,0|1,0,1]=3 76 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,0,0,0,1,0|2,0,1]=4 77 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,0,0,0,1,0|2,0,1]=4 78 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,0,0,0,1,0|2,0,1]=4 79 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,0,0,0,1,0|1,0,2]=4 80 B7R0.6 CC(C)CCB(O)O AM90168 [0,0,0,0,1,0|2,0,1]=4 81 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,0,0,0,1,0|1,0,0]=2 82 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,0,0,0,1,0|1,0,1]=3 83 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,0,0,0,1,0|2,0,0]=3 84 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,0,0,0,1,0|2,0,0]=3 85 B7R0.6 CN(C)CCC(=O)O AM86616 [0,0,0,0,1,0|2,0,0]=3 86 B7R0.6 CN(C)CCN(C)C AMY11857 [0,0,0,0,1,0|3,0,0]=4 87 B7R0.6 CN(C)CCN(C)C AMY5730 [0,0,0,0,1,0|3,0,0]=4 88 B9R0.55 CC(C)CCOCC(=O)O AMY15507 [0,0,0,0,0,1|1,0,0]=2 89 B9R0.55 CC(C)NCCNC(C)C AMY13338 [0,0,0,0,0,1|2,0,1]=4 90 B9R0.55 CN(C)CCCCC(=O)O AMY20362 [0,0,0,0,0,1|3,0,0]=4 91 B9R0.55 CN(C)CCCCC(=O)O AMY20363 [0,0,0,0,0,1|3,0,0]=4 92 B6R0.4 C#CCOC(C)=O AM90264 [2,0,0,0,0,0|0,0,2]=4 93 B6R0.4 C=CCCC(C)=O AM84335 [2,0,0,0,0,0|0,0,2]=4 94 B6R0.4 C=CCOC(C)=O AMY22115 [2,0,0,0,0,0|0,0,2]=4 95 B6R0.4 CC(=O)NCCN AMY40665 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.4 CC(C)CCCO AMY39142 [2,0,0,0,0,0|0,0,2]=4 97 B6R0.4 CC(C)CON=O AMY4012 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.4 CCCCC(=O)[O-] AMY026 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 CCCCN(C)C AMY25818 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.4 CCCOC(=O)Cl AMY3779 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.4 CCOCC(=O)O AMY4062 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 CCSCC(=O)O AM20100532 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 CN(C)CCON AMY27281 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 CNCCC(=O)O AM84855 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.4 CNCCC(C)C AMY37348 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.4 CNCCC(C)C AMY37370 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 CNCCN(C)C AMY10373 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 COCCC(=O)O AMY2689 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 NC(=O)OCCCl AMY19018 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 NCCCC(=O)O AM20100372 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.4 NCCCC(N)=O AMY15220 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.4 O=C(Cl)CCCCl AMY25684 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 O=C(O)CCCS AM20080221 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.6 C=COCCCN AMY3063 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.6 CCCCCCC AMY22304 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.6 CCCCNCC AMY3985 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.6 CCCCON=O AMY4016 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.6 CCOCCCN AMY21920 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.6 CCOCCCO AM20080058 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.6 CCOCOCC AMY25683 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.6 C\C=C\CCCO AMY2616 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.6 O=CCCCCCl AMY772 [2,0,0,0,0,0|2,0,0]=4 123 B8R0.5 CCC[C@H](C)CC(C)C AMY6077 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.6 CCCCNC(=O)CCl AM20100314 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.6 CCNCCC(=O)OC AMY20543 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.6 COC(=O)CCCCBr AM20120637 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.7 CC(=O)CCCCCBr AMY24068 [1,1,0,0,0,0|1,0,0]=3 128 B8R0.7 CC(=O)OCCCC=O AM10056 [1,1,0,0,0,0|0,0,1]=3 129 B8R0.7 CC(C)CCCCCBr AM806997 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.7 CCCCCCC(=O)O AMY41347 [1,1,0,0,0,0|2,0,0]=4 131 B8R0.7 NCCCCCC(=O)O AM82438 [1,1,0,0,0,0|2,0,0]=4 132 B8R0.7 NCCCCCC(=O)O AMY977 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.7 O=C(O)CCCCCBr AM20100119 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.7 O=C(O)CCCCCO AM10824 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.9 CC(=O)OCC(=O)CCl AMY14363 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.9 CCC(=O)COC(C)=O AM20080565 [1,1,0,0,0,0|0,0,1]=3 143 B8R0.21 CCCCOS(C)(=O)=O AMY3886 [1,1,0,0,0,0|1,0,0]=3 144 B8R0.21 COCCOS(C)(=O)=O AM778 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.23 C=C(CC(C)C)C(=O)O AM806663 [0,1,0,0,1,0|1,0,1]=4 146 B8R0.23 CC(=O)O[C@@H](C)C(C)=O AM20080686 [0,1,0,0,1,0|1,0,1]=4 147 B8R0.23 CC(C)CC(=O)C(=O)[O-] AMY25700 [0,1,0,0,1,0|1,0,1]=4 148 B8R0.23 CC(C)C[C@H](N)C(=O)O AM20090485 [0,1,0,0,1,0|1,0,0]=3 149 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81870 [0,1,0,0,1,0|1,0,0]=3 150 B8R0.23 CC(C)C[C@H](N)C(=O)O AM81871 [0,1,0,0,1,0|1,0,0]=3 151 B8R0.23 CC(C)C[C@H](N)C(=O)O AMY22186 [0,1,0,0,1,0|1,0,0]=3 152 B8R0.23 CC(C)C[C@H](N)C(N)=O AM81895 [0,1,0,0,1,0|1,0,0]=3 153 B8R0.23 CC(C)C[C@H](O)C(=O)O AMY22161 [0,1,0,0,1,0|1,0,0]=3 154 B8R0.23 CC(C)[C@@H](N)CC(=O)O AMY30425 [0,1,0,0,1,0|1,0,0]=3 155 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY14234 [0,1,0,0,1,0|1,0,0]=3 156 B8R0.23 CC(C)[C@H](N)CC(=O)O AMY30426 [0,1,0,0,1,0|1,0,0]=3 157 B8R0.29 CC(=O)CSC(C)(C)C AMY32434 [0,1,0,0,1,0|1,0,0]=3 158 B8R0.29 CC(C)(C)NCC(=O)Cl AM20090700 [0,1,0,0,1,0|2,0,0]=4 159 B8R0.29 CC(C)(C)NCC(=O)O AM20090715 [0,1,0,0,1,0|2,0,0]=4 160 B8R0.29 CC(C)(C)OCC(=O)O AMY11484 [0,1,0,0,1,0|2,0,0]=4 161 B8R0.29 CN(C)CCC(C)(C)N AMY19080 [0,1,0,0,1,0|2,0,0]=4 162 B10R0.98 C=C(C)C(=O)OCCN(C)C AM84885 [0,1,0,0,0,1|2,0,0]=4 163 B10R0.3 CCC[C@H](S)CCOC(C)=O AMY24734 [0,2,0,0,0,0|1,0,0]=3 164 B10R0.77 CCN(CC)CCCC(C)=O AM20070700 [0,2,0,0,0,0|2,0,0]=4 165 B10R0.70 CC(C)C[C@H](CN)CC(=O)O AM20080369 [0,2,0,0,0,0|2,0,0]=4 166 B10R0.70 CC(C)C[C@H](CN)CC(=O)O AMY33454 [0,2,0,0,0,0|2,0,0]=4 167 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.4 CC1CC(Br)CCO1 AMY6009 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.4 CC1CC(N)CCO1 AMY5951 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.4 CC1CC(N)CCO1 AMY5952 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.4 CC1CC(O)CCO1 AMY6006 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.4 CN1CCCC(=O)C1 AM20100357 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.4 CN1CCNC(=O)C1 AMY22966 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [1,0,0,1,0,0|2,0,0]=4 193 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.7 CC(=O)C1CCCC1 AMY7477 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.7 CC(=O)[C@H]1CCOC1 AMY6005 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.7 O=C(Cl)N1CCCC1 AMY737 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.7 O=C(O)C1CCCC1 AM83283 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.19 CC1(C)CCCC1=O AMY25679 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.19 CC1(C)CCNC1=O AMY23821 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.22 C[C@H]1CCCNCC1 AM803851 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.22 O=C1CCCCCC1 AMY3995 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.22 O=C1CCCCCN1 AM802872 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.22 O=C1CCCNCC1 AM20100232 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.22 O=C1CCNCCN1 AM20090172 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.22 O=C1CCNCCN1 AM85736 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.22 O=C1CNCCCN1 AM804637 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.27 CNC[C@H]1CC1(C)C AMY21320 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.31 CC1CCC1C(=O)O AM807028 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.34 CC(=O)NC1CNC1 AMY34221 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.34 O=C(O)CC1CCC1 AM807029 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.35 O=C(O)CCC1CC1 AM8844 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.72 CC1(C)CCCNC1 AMY42566 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.72 CC1(C)CCNCC1 AMY21772 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.72 CC1(C)CCNCC1 AMY41051 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.72 CC1(N)CCOCC1 AMY23061 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.72 CC1(N)CCOCC1 AMY34985 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.72 CC1(O)CCOCC1 AMY23045 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,0,0,1,1,0|0,0,0]=2 219 B8R1.3 CC1CCC(N)CC1 AM804167 [0,0,0,1,1,0|1,0,1]=4 220 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,0,0,1,1,0|1,0,0]=3 221 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,0,0,1,1,0|0,0,2]=4 222 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,0,0,1,1,0|1,0,1]=4 223 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,0,0,1,1,0|2,0,0]=4 224 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [0,0,0,1,1,0|1,0,1]=4 225 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,0,0,1,1,0|0,0,2]=4 226 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,0,0,1,1,0|2,0,0]=4 227 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,0,0,1,1,0|1,0,0]=3 228 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,0,0,1,1,0|1,0,0]=3 229 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,0,0,1,1,0|2,0,0]=4 230 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,0,0,1,1,0|2,0,0]=4 231 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,0,0,1,1,0|1,0,0]=3 232 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,0,0,1,1,0|1,0,0]=3 233 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,0,0,1,1,0|2,0,0]=4 234 B8R1.23 CC(=O)N1CC(N)C1 AMY34514 [0,0,0,1,1,0|2,0,0]=4 235 B8R1.23 CC(=O)N1CC(O)C1 AMY4420 [0,0,0,1,1,0|2,0,0]=4 236 B8R1.23 CC1CC(C(=O)O)C1 AM804062 [0,0,0,1,1,0|1,0,0]=3 237 B8R1.23 CN1CC(C(=O)O)C1 AM20110258 [0,0,0,1,1,0|2,0,0]=4 238 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 AMY34068 [0,0,0,1,1,0|1,0,0]=3 239 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 AMY34302 [0,0,0,1,1,0|1,0,0]=3 240 B8R1.23 NC1CC(C(=O)O)C1 AM20070624 [0,0,0,1,1,0|2,0,0]=4 241 B8R1.23 NC1CC(C(=O)O)C1 AM85612 [0,0,0,1,1,0|2,0,0]=4 242 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AM20070631 [0,0,0,1,1,0|2,0,0]=4 243 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 AMY31853 [0,0,0,1,1,0|2,0,0]=4 244 B8R1.23 O=C(O)C1CC(F)C1 AM85510 [0,0,0,1,1,0|2,0,0]=4 245 B8R1.23 O=C(O)C1CC(O)C1 AM20070602 [0,0,0,1,1,0|2,0,0]=4 246 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AM10828 [0,0,0,1,1,0|2,0,0]=4 247 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 AM807032 [0,0,0,1,1,0|2,0,0]=4 248 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,0,0,1,1,0|0,0,2]=4 249 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,0,0,1,1,0|0,0,0]=2 250 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,0,0,1,1,0|1,0,0]=3 251 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,0,0,1,1,0|1,0,0]=3 252 B8R1.51 CC1=NC(C)(C)CO1 AMY3877 [0,0,0,1,1,0|1,0,0]=3 253 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,0,0,1,1,0|2,0,0]=4 254 B8R1.77 CC1(C)C[C@@H]1C(=O)O AMY21208 [0,0,0,1,1,0|1,0,0]=3 255 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 AMY34342 [0,0,0,1,0,1|1,0,1]=4 256 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 AMY38373 [0,0,0,1,0,1|1,0,0]=3 257 B10R1.113 CC(=O)N1CCC[C@H](Br)C1 AM92486 [0,0,0,1,0,1|2,0,0]=4 258 B10R1.113 CC(=O)N1CCC[C@H](Br)C1 AM95604 [0,0,0,1,0,1|2,0,0]=4 259 B10R1.113 CC(=O)N1CCC[C@H](Br)C1 AM96012 [0,0,0,1,0,1|2,0,0]=4 260 B10R1.113 CC(=O)N1CCC[C@H](Cl)C1 AM90493 [0,0,0,1,0,1|2,0,0]=4 261 B10R1.113 CC(=O)N1CCC[C@H](Cl)C1 AM95451 [0,0,0,1,0,1|2,0,0]=4 262 B10R1.113 CC(=O)N1CCC[C@H](Cl)C1 AM95460 [0,0,0,1,0,1|2,0,0]=4 263 B10R1.113 CC(=O)N1CCC[C@H](I)C1 AM93705 [0,0,0,1,0,1|2,0,0]=4 264 B10R1.113 CC(=O)N1CCC[C@H](I)C1 AM95228 [0,0,0,1,0,1|2,0,0]=4 265 B10R1.113 CC(=O)N1CCC[C@H](I)C1 AM96713 [0,0,0,1,0,1|2,0,0]=4 266 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM10596 [0,0,0,1,0,1|2,0,0]=4 267 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM90443 [0,0,0,1,0,1|2,0,0]=4 268 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM90827 [0,0,0,1,0,1|2,0,0]=4 269 B10R1.113 CC(=O)N1CCC[C@H](N)C1 AM91116 [0,0,0,1,0,1|2,0,0]=4 270 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM101202 [0,0,0,1,0,1|2,0,0]=4 271 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AM90672 [0,0,0,1,0,1|2,0,0]=4 272 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 AM100658 [0,0,0,1,0,1|1,0,0]=3 273 B10R1.113 CC(C)N1CCCC(=O)C1 AMY28844 [0,0,0,1,0,1|1,0,0]=3 274 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 AMY21985 [0,0,0,1,0,1|2,0,0]=4 275 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O AMY34795 [0,0,0,1,0,1|2,0,0]=4 276 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O AMY202003207 [0,0,0,1,0,1|2,0,0]=4 277 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O AMY34908 [0,0,0,1,0,1|2,0,0]=4 278 B10R1.13 CC(=O)C1CCN(C)CC1 AM20120473 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.13 CC(=O)N1CCC(Br)CC1 AM805978 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.13 CC(=O)N1CCC(Cl)CC1 AM100493 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.13 CC(=O)N1CCC(I)CC1 AM91857 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.13 CC(=O)N1CCC(N)CC1 AMY6029 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.13 CC(=O)N1CCC(N)CC1 AMY6033 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.13 CC(=O)N1CCC(O)CC1 AM100786 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 AMY10950 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.13 CC(C)N1CCC(=O)CC1 AM85342 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 AMY22322 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.13 CC1CCC(C(=O)O)CC1 AM9725 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.13 CC1CCC(C(N)=O)CN1 AMY5571 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.13 CN(C)C1CCC(=O)CC1 AM85308 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 AMY18328 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.14 COC(=O)C1CCC(N)C1 AMY19590 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 AMY14676 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.14 COC(=O)[C@H]1CCN(C)C1 AMY2411 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.14 NCC(=O)N1CC[C@H](Br)C1 AM94315 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.14 NCC(=O)N1CC[C@H](Cl)C1 AM94074 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.14 O=C(CCl)N1CC[C@H](Br)C1 AM92328 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.31 CC(=O)N1CC[C@H](C=O)C1 AM91118 [0,1,0,1,0,0|1,0,1]=4 299 B10R1.31 CC(=O)N1CC[C@H](CBr)C1 AM93694 [0,1,0,1,0,0|1,0,0]=3 300 B10R1.31 CC(=O)N1CC[C@H](CCl)C1 AM91228 [0,1,0,1,0,0|1,0,0]=3 301 B10R1.31 CC(=O)N1CC[C@H](CI)C1 AM93455 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.31 CC(=O)N1CC[C@H](CN)C1 AM91433 [0,1,0,1,0,0|1,0,0]=3 303 B10R1.31 CC(=O)N1CC[C@H](CO)C1 AM100447 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.31 CN[C@H]1CCN(C(C)=O)C1 AM101389 [0,1,0,1,0,0|1,0,0]=3 305 B10R1.31 CN[C@H]1CCN(C(C)=O)C1 AM95387 [0,1,0,1,0,0|1,0,0]=3 306 B10R1.31 CN[C@H]1CCN(C(C)=O)C1 AM96238 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.150 CCC(=O)NC1CC(N)C1 AM806191 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.171 CC1(C)C[C@@H](CO)CCO1 AMY202003235 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.197 CCN1CCNC(=O)CC1 AMY13614 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.301 C[C@H]1CCCC(C)(C)C1=O AMY38174 [0,1,0,1,0,0|1,0,1]=4 311 B10R1.302 O=C1CCCC(F)(F)CC1 AMY8756 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O AMY22687 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.329 CC1(C)CC(=O)CC(=O)C1 AM10627 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.329 CC1(C)CC(=O)NC(=O)C1 AMY3786 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.329 CC1(C)CC(=O)OC(=O)C1 AMY3981 [0,1,0,1,0,0|0,0,1]=3 316 B10R2.178 O=C1CCC2CCC1C2 AM20070492 [0,0,0,2,0,0|1,0,0]=3 317 B10R2.357 O=C(O)C1CC2CC2C1 AMY34042 [0,0,0,2,0,0|2,0,0]=4 318 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,0,0,2,0|0,0,2]=4 319 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,0,0,2,0|0,0,0]=2 320 B6R0.2 CC(=O)NC(C)C AMY3785 [0,0,0,0,2,0|1,0,0]=3 321 B6R0.2 CC(C)CC(=O)O AMY40214 [0,0,0,0,2,0|1,0,0]=3 322 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,0,0,0,2,0|1,0,1]=4 323 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,0,0,0,2,0|1,0,0]=3 324 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,0,0,0,2,0|2,0,0]=4 325 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,0,0,0,2,0|2,0,0]=4 326 B6R0.2 CN(C)CC(=O)O AM20080064 [0,0,0,0,2,0|2,0,0]=4 327 B6R0.2 CN(C)CC(=O)O AM81799 [0,0,0,0,2,0|2,0,0]=4 328 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,0,0,0,2,0|2,0,0]=4 329 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,0,0,0,2,0|2,0,0]=4 330 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,0,0,0,2,0|2,0,0]=4 331 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,0,0,0,2,0|2,0,0]=4 332 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,0,0,0,2,0|2,0,0]=4 333 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,0,0,0,2,0|2,0,0]=4 334 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,0,0,0,2,0|2,0,0]=4 335 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,0,0,0,2,0|2,0,0]=4 336 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,0,0,0,2,0|2,0,0]=4 337 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,0,0,0,2,0|2,0,0]=4 338 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,0,0,0,2,0|2,0,0]=4 339 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,0,0,0,2,0|2,0,0]=4 340 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,0,0,0,2,0|2,0,0]=4 341 B10R0.97 CC(C)CCOCCC(C)C AMY36943 [0,0,0,0,0,2|1,0,1]=4