0 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 NCCC[C@@H](N)C(=O)O DY550209 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 NCCC[C@H](N)C(=O)O NO22279 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 C#CCC[C@H](N)CO DY516333 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.3 CCCCC(O)CO DY567525 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 COCC\C(N)=N\O DY610313 [1,0,0,0,0,0|1,1,1]=4 9 B7R0.4 C#CCCCC(=O)O NO14686 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CC(=O)CCCCBr NO10627 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCCCB(O)O NO22305 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CCCCCC(=O)Cl DY822275 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CCCCCC(C)O NO21570 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 CCCOCC(=O)O DY425744 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.4 CCCSCC(N)=O DY742801 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 CNCCCC(=O)O DY702793 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.4 N#CCSCC(=O)O DY796389 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.4 O=C(Cl)CCCCCl DY460464 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 [N-]=[N+]=NCCC(=O)O DY457240 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.5 C#CC[C@@H](N)C(=O)O DY21037 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 C#CC[C@H](N)C(=O)O NO13900 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.5 CCCC(C)C(C)=O DY740965 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [1,0,0,0,0,0|0,0,0]=1 25 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [1,0,0,0,0,0|0,1,0]=2 26 B7R0.5 COC[C@H](N)C(=O)O NO16755 [1,0,0,0,0,0|0,1,0]=2 27 B7R0.5 COC[C@H](N)C(=O)O NO20335 [1,0,0,0,0,0|0,1,0]=2 28 B7R0.5 NC(CCO)C(=O)O NO13886 [1,0,0,0,0,0|0,1,0]=2 29 B7R0.5 NCCC(N)C(=O)O DY700789 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 NCCC(N)C(=O)O NO15080 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 NCCC(O)C(=O)O NO15496 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [1,0,0,0,0,0|0,1,0]=2 36 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [1,0,0,0,0,0|0,1,0]=2 37 B9R0.3 CSCC[C@@H](N)C(C)(C)O DY530649 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DY428251 [0,1,0,0,0,0|2,0,0]=3 39 B9R0.7 CC(C)CC[C@H](N)C(=O)O NO10576 [0,1,0,0,0,0|1,0,0]=2 40 B9R0.7 CC(C)COC(C)C(=O)O DY585447 [0,1,0,0,0,0|3,0,0]=4 41 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O DY539841 [0,1,0,0,0,0|0,0,1]=2 42 B9R0.7 NC(=O)[C@H](N)CCC(=O)O DY437668 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.7 NC(CCC(=O)O)C(=O)O NO15295 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY437662 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DY822470 [0,1,0,0,0,0|2,0,0]=3 46 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] DY792687 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.13 CCCCC(CC)C(=O)[O-] DY740359 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.13 CCCCC(CC)C(=O)[O-] DY822436 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.13 CCCCC(CC)C(=O)[O-] DY822437 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.13 CCCC[C@@H](CO)C(=O)O DY797973 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.42 COC(=O)C[C@@H](N)C(=O)O NO22944 [0,1,0,0,0,0|0,1,1]=3 52 B9R0.42 COC(=O)C[C@H](N)C(=O)O NO13817 [0,1,0,0,0,0|0,1,1]=3 53 B9R0.47 C=CCCC[C@@H](N)C(=O)O DY628077 [0,1,0,0,0,0|1,0,1]=3 54 B9R0.47 CCCCCC(C)C(=O)O DY509948 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.47 CCCCCC(N)C(=O)O DY506843 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.47 CCSCC[C@@H](N)C(=O)O DY558999 [0,1,0,0,0,0|0,0,0]=1 57 B9R0.47 NCCCCC(N)C(=O)O NO18635 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.47 NCCCCC(N)C(=O)O NO19277 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.47 NCCCC[C@@H](N)C(=O)O DY503163 [0,1,0,0,0,0|1,0,0]=2 60 B9R0.47 NCCCC[C@@H](N)C(=O)O NO18638 [0,1,0,0,0,0|1,0,0]=2 61 B9R0.47 NCCCC[C@H](N)C(=O)O DY20432 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.47 NCCCC[C@H](N)C(=O)O NO14946 [0,1,0,0,0,0|1,0,0]=2 63 B9R0.47 NCCCC[C@H](N)C(=O)O NO19147 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.47 NCCOC[C@H](N)C(=O)O DY584403 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.47 N[C@@H](CCCNO)C(=O)O DY551895 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.5 NC1CCCCNC1=O NO15569 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.5 NC1CCCCNC1=O NO15816 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.5 O=C1NCCCCC1Br DY550035 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.6 CC(=O)C1CCCCN1 DY504771 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.6 CC(=O)C1CCOCC1 NO13055 [0,0,0,1,0,0|2,1,0]=4 72 B9R1.6 NC(=O)[C@@H]1CNCCN1 DY626185 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.6 O=C(O)C1=CCCCC1 DY564789 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.6 O=C(O)C1=CCNCC1 DY567225 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.6 O=C(O)C1CC=CCC1 DY20590 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.6 O=C(O)C1CCCCN1 NO18433 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.6 O=C(O)C1CCCNC1 NO22806 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.6 O=C(O)C1CCCOC1 NO18526 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.6 O=C(O)C1CCNCC1 NO15208 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.6 O=C(O)C1CCNCC1 NO22807 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.6 O=C(O)C1CCOCC1 NO18392 [0,0,0,1,0,0|1,1,0]=3 82 B9R1.6 O=C(O)C1CCSCC1 DY578325 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.6 O=C(O)C1CNCCN1 NO16953 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.6 O=C(O)C1CNCCN1 NO22631 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.6 O=C(O)C1CNCCO1 NO21703 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.6 O=C(O)C1CNCCS1 DY738698 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.6 O=C(O)C1CNCCS1 DY789387 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.6 O=C(O)C1CSCCN1 NO19640 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.6 O=C(O)N1CCNCC1 DY503859 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.6 O=C(O)[C@@H]1CC=CCC1 DY20996 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO13937 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.6 O=C(O)[C@@H]1CCCCN1 NO18418 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO12538 [0,0,0,1,0,0|3,0,0]=4 94 B9R1.6 O=C(O)[C@@H]1CCCNC1 NO22802 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.6 O=C(O)[C@@H]1CCCNN1 DY625837 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.6 O=C(O)[C@@H]1CNCCN1 NO17152 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 O=C(O)[C@@H]1COCCN1 NO16814 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.6 O=C(O)[C@@H]1COCCN1 NO17811 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.6 O=C(O)[C@@H]1CSCCN1 DY565755 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.6 O=C(O)[C@H]1CC=CCC1 DY461064 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.6 O=C(O)[C@H]1CCCCN1 NO18416 [0,0,0,1,0,0|1,0,0]=2 102 B9R1.35 CC1CN[C@H](C(=O)O)C1 DY586580 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.35 CN1CCC(C(=O)O)C1 DY444131 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.35 CN1CCC(C(=O)O)C1 NO18297 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586577 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.35 C[C@@H]1CN[C@@H](C(=O)O)C1 DY586579 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.35 C[C@H]1CN[C@@H](C(=O)O)C1 DY586578 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.35 NC1CCC(C(=O)O)C1 NO16161 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 DY529041 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 DY628863 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 NO14934 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 NO17903 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 DY622149 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 DY620370 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.35 O=C1N[C@H](C(=O)O)CO1 DY536619 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.59 COC[C@H]1C[C@@H]1C(=O)O DY586272 [0,0,0,1,0,0|1,1,0]=3 122 B9R1.69 NC1CCC(=O)NC1=O NO13348 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O DY528279 [0,0,0,1,0,0|1,0,1]=3 124 B9R1.95 COC1CC(C(=O)O)C1 DY556227 [0,0,0,1,0,0|1,1,0]=3 125 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 DY532413 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.95 O=C(O)C1CC(CO)C1 DY103733 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.110 CC(C(=O)O)C1CCC1 DY586363 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.110 CC(C(=O)O)N1CCC1 DY607944 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.110 N[C@H](C(=O)O)C1CCC1 DY444508 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.112 C[C@H](CC1CC1)C(=O)O DY586262 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.112 NC(CC1CC1)C(=O)O DY628713 [0,0,0,1,0,0|1,0,0]=2 132 B9R1.112 N[C@H](CC1CC1)C(=O)O NO18682 [0,0,0,1,0,0|1,0,0]=2 133 B9R1.163 C[C@@]1(C(=O)O)CCCN1 DY10549 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.163 C[C@]1(C(=O)O)CCCO1 DY563493 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.163 NC(=O)C1(N)CCCC1 NO18509 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.163 NC1(C(=O)O)CCCC1 NO18420 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.163 NC1(C(=O)O)CCOC1 DY20730 [0,0,0,1,0,0|0,1,0]=2 138 B9R1.163 N[C@]1(C(=O)O)CCNC1 DY566973 [0,0,0,1,0,0|1,0,0]=2 139 B9R1.163 O=C(O)C1(O)CCCC1 NO20733 [0,0,0,1,0,0|2,0,0]=3 140 B9R0.4 CSCC[C@H](N)CC(=O)O DY570603 [0,0,0,0,0,1|0,0,0]=1 141 B9R0.4 NCCCC(N)CC(=O)O DY583857 [0,0,0,0,0,1|2,0,0]=3 142 B6R0.1 CCCC(O)CO NO20495 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.4 C#CCCC(=O)O DY428029 [2,0,0,0,0,0|0,0,2]=4 144 B6R0.4 C=CCCC(=O)O NO15216 [2,0,0,0,0,0|0,0,2]=4 145 B6R0.4 CC(=O)CCCBr NO10305 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.4 CC(=O)CCCCl NO10334 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.4 CCCCC(C)O DY740779 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 CSCCC(C)=O DY740809 [2,0,0,0,0,0|1,0,0]=3 149 B6R0.4 N#CCCC(=O)O NO22262 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.4 NCCCC(=O)O NO14998 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.4 NCCNC(=O)O DY822495 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.4 O=C(O)CCCBr NO14053 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.6 CNCCCCO DY554133 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.6 COCCCCO DY741295 [2,0,0,0,0,0|0,1,1]=4 155 B6R0.6 O=CCCCC=O DY822316 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.6 O=CCCCCBr DY510224 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [2,0,0,0,0,0|0,0,2]=4 158 B6R0.3 CCC(=O)C(=O)O NO21626 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.3 CCC(N)C(=O)O NO14084 [2,0,0,0,0,0|0,0,0]=2 160 B6R0.3 CCC(O)C(=O)O DY562593 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.3 CCC(O)C(=O)[O-] DY557445 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [2,0,0,0,0,0|0,0,0]=2 163 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [2,0,0,0,0,0|1,0,0]=3 164 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.3 CC[C@H](N)C(=O)O NO13661 [2,0,0,0,0,0|0,0,0]=2 166 B6R0.3 CC[C@H](N)C(N)=O DY436006 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.3 CC[C@H](N)C(N)=O NO15891 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.3 COC(C)C(=O)O NO14024 [2,0,0,0,0,0|1,1,0]=4 170 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [2,0,0,0,0,0|1,1,0]=4 171 B6R0.3 NC(=O)C(N)CO DY544785 [2,0,0,0,0,0|1,1,0]=4 172 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [2,0,0,0,0,0|1,1,0]=4 173 B6R0.3 NC(=O)[C@H](N)CO DY504027 [2,0,0,0,0,0|1,1,0]=4 174 B6R0.3 NC(CO)C(=O)O NO18949 [2,0,0,0,0,0|0,1,0]=3 175 B6R0.3 NC(CS)C(=O)O NO19655 [2,0,0,0,0,0|0,0,0]=2 176 B6R0.3 NCC(N)C(=O)O DY702709 [2,0,0,0,0,0|1,0,0]=3 177 B6R0.3 NCC(N)C(=O)O DY703093 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.3 NCC(N)C(=O)O NO19624 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.3 NC[C@H](N)C(=O)O NO14756 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [2,0,0,0,0,0|0,1,0]=3 184 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [2,0,0,0,0,0|0,0,0]=2 185 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [2,0,0,0,0,0|0,0,0]=2 186 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [2,0,0,0,0,0|0,0,0]=2 187 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.3 N[C@H](CO)C(=O)O NO14731 [2,0,0,0,0,0|0,1,0]=3 189 B6R0.3 N[C@H](CS)C(=O)O DY439001 [2,0,0,0,0,0|0,0,0]=2 190 B6R0.3 N[C@H](CS)C(=O)O NO19417 [2,0,0,0,0,0|0,0,0]=2 191 B6R0.3 O=C(O)C(Br)CBr NO15215 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.3 O=C(O)C(Br)CF DY741307 [2,0,0,0,0,0|2,0,0]=4 193 B6R0.3 O=C(O)C(O)CCl DY10790 [2,0,0,0,0,0|2,0,0]=4 194 B6R0.3 O=C(O)[C@H](O)CS DY740539 [2,0,0,0,0,0|1,0,0]=3 195 B8R0.7 CCCCCCC(=O)O DY822462 [1,1,0,0,0,0|1,0,0]=3 196 B8R0.7 CSCCCCC(=O)O DY112374 [1,1,0,0,0,0|0,0,0]=2 197 B8R0.7 NCCCCCC(=O)O NO13381 [1,1,0,0,0,0|1,0,0]=3 198 B8R0.7 NCCOCCC(=O)O DY739157 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.7 O=C(O)CCCCCBr NO18405 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.28 CC(=O)CCCC(=O)O DY547923 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.28 CC(=O)NCCC(=O)O DY584556 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.28 CC(C)CCCC(=O)O DY564243 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.28 CN(C)CCCC(=O)O NO18615 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.28 NC(=O)CCCC(=O)O DY604617 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O DY437802 [1,1,0,0,0,0|1,0,0]=3 206 B8R0.2 COC(C)C(Br)C(=O)O DY797457 [1,1,0,0,0,0|1,1,0]=4 207 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O DY740365 [1,1,0,0,0,0|0,1,0]=3 208 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [1,1,0,0,0,0|0,0,0]=2 209 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O DY700585 [1,1,0,0,0,0|0,0,2]=4 210 B8R0.23 CC(C)CC(Br)C(=O)O NO14792 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.23 CC(C)CC(N)C(=O)O NO22248 [1,1,0,0,0,0|0,0,0]=2 212 B8R0.23 CC(C)C[C@@H](N)C(=O)O NO18600 [1,1,0,0,0,0|0,0,0]=2 213 B8R0.23 CC(C)C[C@@H](N)C(N)=O DY437833 [1,1,0,0,0,0|1,0,0]=3 214 B8R0.23 CC(C)C[C@H](N)C(=O)O NO18604 [1,1,0,0,0,0|0,0,0]=2 215 B8R0.23 CC(C)OC(C)C(=O)O DY603788 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.23 NC(=O)C[C@@H](N)C(=O)O NO19152 [1,1,0,0,0,0|0,1,1]=4 217 B8R0.23 NC(CC(=O)O)C(=O)O DY793569 [1,1,0,0,0,0|0,1,1]=4 218 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O DY501789 [1,1,0,0,0,0|1,0,0]=3 219 B8R0.23 N[C@H](CC(=O)O)C(=O)O DY563601 [1,1,0,0,0,0|0,1,1]=4 220 B8R0.23 N[C@H](CC(=O)O)C(=O)O NO18065 [1,1,0,0,0,0|0,1,1]=4 221 B10R0.96 N[C@H](CCC(=O)O)CC(=O)O DY701455 [0,1,0,0,0,1|2,0,0]=4 222 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O DY437674 [0,2,0,0,0,0|2,0,0]=4 223 B10R0.57 COC(=O)[C@@H](N)CCC(C)C DY625885 [0,2,0,0,0,0|1,0,0]=3 224 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O DY437656 [0,2,0,0,0,0|2,0,0]=4 225 B10R0.82 COC(=O)CC[C@H](N)C(=O)O DY700795 [0,2,0,0,0,0|0,1,0]=3 226 B10R0.82 COC(=O)CC[C@H](N)C(=O)O NO22254 [0,2,0,0,0,0|0,1,0]=3 227 B10R0.84 CNC(CCC(=O)O)C(=O)O DY550983 [0,2,0,0,0,0|2,0,0]=4 228 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O NO11444 [0,2,0,0,0,0|2,0,0]=4 229 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O DY437960 [0,2,0,0,0,0|0,0,1]=3 230 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O DY620816 [0,2,0,0,0,0|2,0,0]=4 231 B10R0.19 CCOC(=O)C(N)CCSC DY437954 [0,2,0,0,0,0|0,0,0]=2 232 B10R0.46 COC(=O)C[C@H](N)C(=O)OC DY436272 [0,2,0,0,0,0|0,1,1]=4 233 B10R0.83 COC(=O)[C@H](N)CCCCN DY535029 [0,2,0,0,0,0|1,0,0]=3 234 B10R0.124 CCCCC(F)(F)C(=O)OC DY458681 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.88 CCCC[C@H](NC=O)C(=O)O DY437644 [0,2,0,0,0,0|1,0,0]=3 236 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O DY560271 [0,2,0,0,0,0|1,0,1]=4 237 B10R0.75 C=CCCCC[C@H](N)C(=O)O DY703693 [0,2,0,0,0,0|1,0,0]=3 238 B10R0.75 CSCCCC[C@H](N)C(=O)O DY628317 [0,2,0,0,0,0|0,0,0]=2 239 B10R0.75 N[C@@H](CSCCCO)C(=O)O DY517613 [0,2,0,0,0,0|1,0,0]=3 240 B10R0.98 CN(C)CCC[C@H](N)C(=O)O DY628311 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.2 O=CC1CCCCC1 DY20143 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.2 OCC1CCCCN1 NO21780 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.5 N[C@@H]1CCCC[C@@H]1O NO12548 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.5 N[C@@H]1CCCC[C@H]1O DY584529 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.5 N[C@@H]1CCCC[C@H]1O NO12403 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.5 N[C@@H]1CCCC[C@H]1O NO18590 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.5 N[C@H]1CCCC[C@@H]1O DY20824 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.5 N[C@H]1CCCC[C@@H]1O NO14928 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.5 N[C@H]1CCCC[C@H]1O DY20710 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.5 N[C@H]1CCCC[C@H]1O NO12547 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.5 N[C@H]1CCCNC1=O DY106744 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.5 N[C@H]1CCCNC1=O DY554319 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.5 N[C@H]1CCOC[C@H]1O DY102103 [1,0,0,1,0,0|0,1,1]=4 255 B8R1.5 N[C@H]1CCOC[C@H]1O DY621122 [1,0,0,1,0,0|0,1,1]=4 256 B8R1.5 O=C1CCCCC1Br DY573183 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.50 CN1CC[C@@H](O)C1=O DY563481 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.52 NC1(CO)CCOC1 DY103469 [1,0,0,1,0,0|0,1,1]=4 259 B8R1.4 CN1CCCC(=O)C1 DY774909 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.4 O=C1CCCC(=O)O1 NO11243 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.6 CCCC1CC(=O)C1 DY561087 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.7 CC(=O)C1CCCC1 DY445790 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.7 CC(=O)C1CCCC1 NO20673 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.7 NC(=O)C1CCCC1 DY794313 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.7 NC(=O)C1CCNC1 DY555753 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.7 NC(=O)C1CCNC1 DY565263 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.7 O=C(O)C1CCCN1 NO18287 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.7 O=C(O)C1CCCO1 DY20393 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.7 O=C(O)C1CCNC1 NO18444 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.7 O=C(O)C1CCNC1 NO19637 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.7 O=C(O)C1CCOC1 DY444586 [1,0,0,1,0,0|0,1,0]=3 272 B8R1.7 O=C(O)C1CCSS1 DY566085 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [1,0,0,1,0,0|0,1,0]=3 275 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [1,0,0,1,0,0|1,0,0]=3 276 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.34 O=C(O)CC1CCC1 NO11177 [1,0,0,1,0,0|1,0,0]=3 281 B8R1.34 O=C(O)CC1CCN1 DY584158 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.34 O=C(O)CN1CCC1 DY719380 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.35 O=C(O)CCC1CC1 NO19562 [1,0,0,1,0,0|1,0,0]=3 284 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O DY586259 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O DY586268 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.23 CC1CC(C(=O)O)C1 NO15188 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.23 CN1CC(C(=O)O)C1 DY444119 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.23 NC1CC(C(=O)O)C1 DY10550 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.23 NC1CC(C(=O)O)C1 DY756217 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO15871 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 NO18457 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.23 O=C(O)C1CC(O)C1 NO13147 [1,0,0,1,0,0|1,1,0]=4 293 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 DY104924 [1,0,0,1,0,0|1,1,0]=4 294 B8R1.30 C=C1CC1(N)C(=O)O DY533541 [1,0,0,1,0,0|0,0,2]=4 295 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1F DY102836 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.54 N[C@@H](C(=O)O)C1CC1 DY556701 [1,0,0,1,0,0|0,0,0]=2 297 B8R1.54 O=C(O)C(=O)C1CC1 NO15905 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.78 CC1(C(=O)O)CCC1 DY21173 [1,0,0,1,0,0|1,0,0]=3 299 B8R1.78 NC1(C(=O)O)CCC1 NO20591 [1,0,0,1,0,0|0,0,0]=2 300 B8R1.78 NC1(C(=O)O)COC1 DY585976 [1,0,0,1,0,0|0,1,0]=3 301 B10R1.18 O=C(O)CC1CCCCC1 NO10565 [0,0,0,1,0,1|2,0,0]=4 302 B10R1.18 O=C(O)CC1CCNCC1 NO10136 [0,0,0,1,0,1|2,0,0]=4 303 B10R1.18 O=C(O)CC1CCOCC1 NO19613 [0,0,0,1,0,1|1,1,0]=4 304 B10R1.18 O=C(O)CC1CCSCC1 DY520275 [0,0,0,1,0,1|1,0,0]=3 305 B10R1.18 O=C(O)CC1COCCN1 NO14263 [0,0,0,1,0,1|2,0,0]=4 306 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O DY561195 [0,0,0,1,0,1|1,0,1]=4 307 B10R1.61 O=C(O)C1CCCCC1O NO21597 [0,0,0,1,0,1|2,0,0]=4 308 B10R1.130 CCO[C@H]1OC(=O)C[C@@H]1N DY621266 [0,0,0,1,0,1|2,0,0]=4 309 B10R1.23 CC(C(=O)O)C1CCCC1 DY757249 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.81 NC(C(=O)O)C1CC(F)C1 DY703771 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.275 CN1CCCCC(N)C1=O DY585331 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.275 CN1CCCC[C@H](N)C1=O DY625165 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.291 CC1NCCC1(O)C(=O)O DY534543 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.319 CSCC1C[C@@]1(N)C(=O)O DY741877 [0,1,0,1,0,0|0,0,0]=2 315 B10R1.13 CC1=CCC(C(=O)O)CC1 DY460152 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.13 CC1CCC(C(N)=O)CN1 DY425228 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 NO14216 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO12037 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 NO14217 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 DY527007 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 DY428316 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.58 C[C@@H]1C[C@@H](C(=O)O)N[C@@H]1C DY525111 [0,1,0,1,0,0|1,0,0]=3 323 B10R1.359 CC1(C)CCC(C(=O)O)N1 DY628815 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.14 COC(=O)C1CCC(=O)N1 NO15487 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 NO14546 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.15 COC(=O)C1CCCCC1 NO22810 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.15 COC(=O)C1CCCCN1 NO14321 [0,1,0,1,0,0|1,0,0]=3 328 B10R1.15 COC(=O)C1CCOCC1 NO13506 [0,1,0,1,0,0|1,1,0]=4 329 B10R1.15 COC(=O)C1CNCCN1 DY512679 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.15 COC(=O)[C@@H]1CCCCN1 NO19623 [0,1,0,1,0,0|1,0,0]=3 331 B10R1.15 COC(=O)[C@@H]1COCCN1 DY569763 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.15 COC(=O)[C@H]1CCCCN1 NO19622 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.19 CNC1CCCCNC1=O DY685481 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.159 CC[C@@H]1C[C@@]1(N)C(=O)OC DY620304 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.169 COC(=O)[C@H]1C[C@H](OC)C1 DY585667 [0,1,0,1,0,0|1,1,0]=4 336 B10R1.411 CNC(=O)C1(N)CCCC1 DY585776 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.411 COC(=O)C1(C)CCOC1 DY104210 [0,1,0,1,0,0|1,1,0]=4 338 B10R1.411 COC(=O)C1(N)CCCC1 NO15228 [0,1,0,1,0,0|1,0,0]=3 339 B10R1.411 COC(=O)C1(N)CCOC1 DY509510 [0,1,0,1,0,0|0,1,0]=3 340 B10R1.411 COC(=O)C1(N)CCSC1 DY585552 [0,1,0,1,0,0|0,0,0]=2 341 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C DY536097 [0,1,0,1,0,0|1,0,0]=3 342 B10R1.348 O=C(O)C1CCCCCN1 DY558291 [0,1,0,1,0,0|1,0,0]=3 343 B10R1.348 O=C(O)[C@H]1CCOCCN1 DY770739 [0,1,0,1,0,0|0,1,0]=3 344 B10R1.477 COC1(C(=O)O)CCOC1 DY585338 [0,1,0,1,0,0|1,1,0]=4 345 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 NO13084 [0,1,0,1,0,0|1,0,0]=3 346 B10R1.113 NC1CCCC(C(=O)O)C1 NO19619 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO14264 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 NO17221 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 NO17237 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 DY540669 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 DY620581 [0,1,0,1,0,0|1,0,0]=3 352 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 DY113049 [0,1,0,1,0,0|1,0,1]=4 353 B10R1.490 CO[C@H]1C[C@](N)(C(=O)O)C1 DY585288 [0,1,0,1,0,0|0,1,0]=3 354 B10R1.93 CCCC1CC(C(=O)O)C1 DY585465 [0,1,0,1,0,0|2,0,0]=4 355 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 DY578103 [0,1,0,1,0,0|1,0,0]=3 356 B10R1.363 NC(=O)C1(N)CCCCC1 DY603556 [0,1,0,1,0,0|2,0,0]=4 357 B10R1.363 NC1(C(=O)O)CCNCC1 DY774711 [0,1,0,1,0,0|1,0,0]=3 358 B10R1.363 NC1(C(=O)O)CCOCC1 NO14607 [0,1,0,1,0,0|0,1,0]=3 359 B10R1.363 O=C(O)C1(F)CCNCC1 DY458543 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.363 O=C(O)C1(O)CCCCC1 DY507077 [0,1,0,1,0,0|2,0,0]=4 361 B10R2.178 O=C1NCC2CCC1N2 DY105362 [0,0,0,2,0,0|2,0,0]=4 362 B10R2.344 O=C(O)C12CC1CCN2 DY517881 [0,0,0,2,0,0|1,0,0]=3 363 B10R2.344 O=C(O)C12CNCC1C2 DY444238 [0,0,0,2,0,0|2,0,0]=4 364 B10R2.351 O=C(O)C1C2CCCC21 DY530319 [0,0,0,2,0,0|2,0,0]=4 365 B10R2.351 O=C(O)C1C2CNCC21 DY116516 [0,0,0,2,0,0|2,0,0]=4 366 B10R2.351 O=C(O)C1C2CNCC21 DY515133 [0,0,0,2,0,0|2,0,0]=4 367 B10R2.351 O=C(O)C1C2COCC21 NO14457 [0,0,0,2,0,0|1,1,0]=4 368 B10R2.355 O=C(O)C1NCC2CC21 DY685493 [0,0,0,2,0,0|1,0,0]=3 369 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 DY460908 [0,0,0,2,0,0|2,0,0]=4 370 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 NO17814 [0,0,0,2,0,0|2,0,0]=4 371 B10R2.357 O=C(O)[C@H]1C[C@H]2C[C@H]2N1 DY511905 [0,0,0,2,0,0|1,0,0]=3