0 B9R0.48 CCOC(=O)CCC(=O)O NO11693 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.48 CCOC(=O)\C=C\N(C)C DY506879 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 C#CCCC(=O)CCC DY822712 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.1 CCC#CC(=O)OCC DY560139 [1,0,0,0,0,0|0,0,3]=4 4 B8R0.1 CCOC(=O)CCCCl DY822383 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.1 CCOC(=O)CCCO DY111642 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.1 CCOC(=O)CN=C=O DY41055 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.1 CCOC(=O)\C=C\C=O NO11394 [1,0,0,0,0,0|0,0,2]=3 8 B8R0.1 CCOCC(=O)OCC DY461136 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.7 CCCCCCC(=O)O DY822462 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.7 CCOCCOC(=O)Cl DY797049 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.9 COC(=O)CCC(=O)O NO11694 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.9 COC(=O)CCS(=O)[O-] NO11954 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.9 COC(C)COC(C)=O DY822690 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.9 NCC(=O)CCC(=O)O DY34214 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.9 NCC(=O)CCC(=O)O NO10222 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.26 C=C(CC(=O)OCC)C(=O)O DY561429 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.26 CCCC(=O)OC(C)C(C)=O DY822611 [0,1,0,0,0,0|2,0,0]=3 18 B10R0.26 CCOC(=O)C[C@@H](O)C(C)C DY822256 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.32 CCOC(=O)C(=O)CC(C)C NO15204 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C NO14067 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.78 C=CCOC(=O)NCC(=O)O DY628833 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.1 CCCN1CCC(=O)CC1 DY543021 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.64 CN(C)CC1CCCC1=O DY604036 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.64 NC(=O)CN1CCCC1=O DY570129 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.64 O=C(O)CN1CCCC1=O NO20147 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.113 CC(C)C1CCCC(=O)C1 DY756979 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 DY113049 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.138 CCOC(=O)CNC1CC1 DY703555 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.140 CCOC(=O)C1CC(=O)C1 NO15362 [0,0,0,1,0,0|0,0,0]=1 30 B10R1.140 CCOC(=O)N1CC(N)C1 DY518565 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 DY528435 [0,0,0,1,0,0|0,0,2]=3 32 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 DY103673 [0,0,0,1,0,0|0,0,2]=3 33 B10R1.330 O=C1CCC(=O)O[PH](=O)O1 DY545415 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.400 CCOC(=O)C1NC1(C)C NO16735 [0,0,0,1,0,0|2,0,1]=4 35 B8R0.5 CCOC(=O)C=C(C)C NO11345 [0,0,0,0,1,0|1,0,1]=3 36 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,0,0,0,1,0|0,0,2]=3 37 B8R0.5 CCOC(=O)CC(F)F DY586521 [0,0,0,0,1,0|2,0,1]=4 38 B8R0.5 CCOC(=O)CC(N)=O NO18301 [0,0,0,0,1,0|1,0,0]=2 39 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,0,0,0,1,0|0,0,2]=3 40 B8R0.5 CCOC(=O)C[N+](=O)[O-] NO22612 [0,0,0,0,1,0|2,0,0]=3 41 B8R0.5 CCOC(=O)OC(C)Cl NO20668 [0,0,0,0,1,0|2,0,1]=4 42 B8R0.5 CCOC(=O)\C=C(/C)N NO15795 [0,0,0,0,1,0|1,0,1]=3 43 B10R0.3 CCCC(=O)SCCN(C)C DY584383 [0,0,0,0,0,1|3,0,0]=4 44 B10R0.3 CCOC(=O)CCCC(=O)O DY461244 [0,0,0,0,0,1|1,0,0]=2 45 B10R0.3 CCOC(=O)CCNC(C)C DY461304 [0,0,0,0,0,1|1,0,1]=3 46 B7R0.3 C#CCCC(=O)OC DY424002 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.3 COC(=O)CCC#N DY553731 [2,0,0,0,0,0|1,0,1]=4 48 B7R0.3 COC(=O)CCC=O DY21172 [2,0,0,0,0,0|0,0,0]=2 49 B7R0.7 CC#CC(=O)OCC NO10117 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.7 CCOC(=O)CC=O DY586084 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.7 CCOC(=O)CCN NO14330 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCOC(=O)CNC NO17068 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCOC(=O)CNN NO19987 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.7 CCOC(=O)COC NO11389 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCOC(=O)\C=C\Br DY822474 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.4 CC(=O)CCCCBr NO10627 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.4 CCCCCC(=O)Cl DY822275 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.4 CCO\C=C\C(=O)O NO22271 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.6 C=C(C)CCC(=O)O NO16527 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.6 CC(=O)CCC(=O)O NO18688 [2,0,0,0,0,0|0,0,0]=2 61 B7R0.6 CC(=O)NCC(=O)O NO19131 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.6 CC(=O)SCC(=O)O DY447723 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.6 CN(C)CCC(=O)O NO12169 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.5 CCCCCC(=O)OCC DY822461 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.5 CCNCCC(=O)OCC DY703477 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.5 CCOC(=O)CCCCBr NO13726 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.5 CCOC(=O)CCCCN NO14354 [1,1,0,0,0,0|0,0,1]=3 68 B9R0.34 CCOC(=O)CC(=O)CC NO11391 [1,1,0,0,0,0|0,0,2]=4 69 B9R0.34 CCOC(=O)CC(O)CBr DY799257 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.34 CCOC(=O)C[C@H](O)CC DY822251 [1,1,0,0,0,0|0,0,1]=3 71 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.35 CCCC(=O)C(O)CCC DY556689 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.2 CC(=O)NCCOCCN DY790167 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.2 CC(=O)OCCOCCO DY739493 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.7 CC(C)C(=O)CCN(C)C DY793521 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.21 COC(=O)CCS(N)(=O)=O DY527031 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.23 CCC(=O)C(C)CN(C)C NO12103 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.23 COC(=O)[C@@H](N)CC(C)C NO22260 [1,1,0,0,0,0|1,0,1]=4 79 B9R0.23 COC(=O)[C@H](C)NC(C)=O DY436018 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.23 COC(=O)[C@H](N)CC(=O)O DY436254 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.23 COC(=O)[C@H](O)CC(=O)O DY622299 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.24 COC(=O)C#CC(=O)OC NO11256 [1,1,0,0,0,0|0,0,2]=4 83 B9R0.24 COC(=O)CNC(=O)CN DY439205 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.42 COC(=O)CC(C)C(C)=O DY584386 [1,1,0,0,0,0|0,0,0]=2 85 B9R0.42 COC(=O)C[C@@H](N)C(=O)O NO22944 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.42 COC(=O)C[C@H](N)C(=O)O NO13817 [1,1,0,0,0,0|1,0,0]=3 87 B9R0.6 CCOC(=O)C(Br)C(C)Br DY796845 [0,1,0,0,1,0|1,0,1]=4 88 B9R0.6 CCOC(=O)C(Br)C(C)C NO19615 [0,1,0,0,1,0|1,0,1]=4 89 B9R0.6 CCOC(=O)C(C)C(C)=O NO19187 [0,1,0,0,1,0|0,0,0]=2 90 B9R0.6 CCOC(=O)C(C)[N+](=O)[O-] DY544503 [0,1,0,0,1,0|2,0,0]=4 91 B9R0.6 CCOC(=O)C(F)C(C)C DY429819 [0,1,0,0,1,0|1,0,1]=4 92 B9R0.6 CCOC(=O)C(N)C(C)=O DY537897 [0,1,0,0,1,0|0,0,0]=2 93 B9R0.6 CCOC(=O)[C@@H](C)[C@H](C)O DY822255 [0,1,0,0,1,0|0,0,2]=4 94 B9R0.6 CCOC(=O)[C@@H](O)C(C)C DY822254 [0,1,0,0,1,0|1,0,1]=4 95 B9R0.6 CCOC(=O)[C@H](N)C(C)C DY628149 [0,1,0,0,1,0|1,0,1]=4 96 B9R0.44 CCOC(=O)CC(C)(C)C DY740851 [0,1,0,0,1,0|1,0,1]=4 97 B9R0.44 CCOC(=O)CC(C)(C)N NO14497 [0,1,0,0,1,0|1,0,1]=4 98 B9R0.44 CCOC(=O)CC(C)(C)O NO15635 [0,1,0,0,1,0|0,0,2]=4 99 B9R0.53 C\C(N)=C\C(=O)OC(C)C NO10135 [0,1,0,0,1,0|1,0,1]=4 100 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O NO11384 [0,1,0,0,0,1|0,0,2]=4 101 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O NO16452 [0,1,0,0,0,1|0,0,2]=4 102 B11R0.6 CC(C)CC(=O)NCCC(=O)O DY703141 [0,1,0,0,0,1|2,0,0]=4 103 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O DY437692 [0,1,0,0,0,1|1,0,0]=3 104 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F DY459588 [0,2,0,0,0,0|1,0,1]=4 105 B11R0.120 COC(=O)CCC(=O)C(=O)OC DY517623 [0,2,0,0,0,0|2,0,0]=4 106 B11R0.34 CC(C)(C)OC(=O)CCC(=O)O NO11695 [0,2,0,0,0,0|1,0,0]=3 107 B11R0.34 CC(C)(C)OC(=O)NCC(=O)O NO14438 [0,2,0,0,0,0|2,0,0]=4 108 B11R0.62 CCOC(=O)C#CC(=O)OCC NO15872 [0,2,0,0,0,0|0,0,2]=4 109 B9R1.15 CCC1CNCCC1=O NO17950 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.49 CN1CCCC(=O)CC1 NO13899 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.50 O=C1CCCCCCN1 NO21316 [1,0,0,1,0,0|1,0,1]=4 112 B9R1.73 CCOC(=O)C1CNC1 NO11347 [1,0,0,1,0,0|1,0,0]=3 113 B9R1.6 CC(=O)C1C=CCCC1 DY430670 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.6 CC(=O)C1CCOCC1 NO13055 [1,0,0,1,0,0|0,0,1]=3 115 B9R1.6 CC(=O)N1CCOCC1 DY530841 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.6 CC(=O)[C@@H]1CCCOC1 DY585693 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.6 CC(=O)[C@H]1CCCOC1 DY585692 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.6 O=C(O)C1CC=CCC1 DY20590 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.6 O=C(O)C1CCOCC1 NO18392 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.6 O=C(O)[C@@H]1CC=CCC1 DY20996 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.6 O=C(O)[C@H]1CC=CCC1 DY461064 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.13 O=C(O)CC1CCOC1 NO20367 [1,0,0,1,0,0|1,0,1]=4 123 B9R1.1 COC1CCC(=O)CC1 NO14437 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.10 CC1(C)CCC(=O)CC1 NO22420 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.10 CC1(O)CCC(=O)CC1 NO14351 [1,0,0,1,0,0|0,0,2]=4 126 B9R1.10 O=C1CCS(=O)(=O)CC1 NO15032 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.35 O=C1CCC(C(=O)O)C1 NO19439 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.35 O=C1CCC(C(=O)O)N1 DY525489 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 DY625441 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 DY438135 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.35 O=C1CC[C@H](C(=O)O)N1 NO22212 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.35 O=C1CNC(C(=O)O)C1 DY583413 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.35 O=C1C[C@H](C(=O)O)CN1 DY547731 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.35 O=C1N[C@H](C(=O)O)CO1 DY536619 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.82 COC(=O)C1CC(N)C1 NO15952 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.82 COC(=O)[C@H]1C[C@H](C)O1 DY585926 [1,0,0,1,0,0|0,0,2]=4 138 B9R1.185 COC(=O)C1CC1(C)C DY758545 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.34 CC1CC(=O)CC(=O)C1 NO19597 [0,0,0,1,1,0|1,0,0]=3 140 B9R1.34 CC1CC(=O)CC(C)O1 DY425912 [0,0,0,1,1,0|1,0,1]=4 141 B9R1.34 CC1CC(=O)NC(=O)N1 DY695387 [0,0,0,1,1,0|2,0,0]=4 142 B11R1.15 CCOC(=O)C1=NNC(=O)C1 DY561903 [0,0,0,1,0,1|1,0,1]=4 143 B11R1.15 CCOC(=O)C1CCC(=O)N1 DY628917 [0,0,0,1,0,1|1,0,0]=3 144 B11R1.15 CCOC(=O)N1CCC(=O)C1 NO18745 [0,0,0,1,0,1|0,0,0]=2 145 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 NO15722 [0,0,0,1,0,1|1,0,0]=3 146 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](C)N1 DY627951 [0,0,0,1,0,1|1,0,1]=4 147 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 DY703087 [0,0,0,1,0,1|0,0,2]=4 148 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 NO15604 [0,0,0,1,0,1|1,0,0]=3 149 B11R1.15 O=C1CC[C@@H](C(=O)OCCl)N1 DY701065 [0,0,0,1,0,1|2,0,0]=4 150 B11R1.90 O=C(O)CCN1CCSC1=O DY786376 [0,0,0,1,0,1|1,1,0]=4 151 B11R1.201 CCOC(=O)C[C@H]1C[C@@H](O)C1 DY104870 [0,0,0,1,0,1|0,0,2]=4 152 B11R1.48 CCN1CC(C(=O)O)CC1=O DY558543 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.833 C=C1CC(C)(C(=O)OCC)C1 DY586491 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.833 CCOC(=O)C1(C)CC(N)C1 DY584140 [0,1,0,1,0,0|1,0,1]=4 155 B11R1.489 CC1(C)OC(=O)CC1C(=O)O DY572049 [0,1,0,1,0,0|1,0,0]=3 156 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 DY102440 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.228 COC(=O)CC1CNNC1=O DY649979 [0,1,0,1,0,0|2,0,0]=4 158 B7R0.2 CC(=O)NC(=O)CCl DY741085 [1,0,0,0,1,0|2,0,0]=4 159 B7R0.2 CCC(=O)CC(C)=O NO21124 [1,0,0,0,1,0|0,0,0]=2 160 B7R0.2 CCC(=O)OC(C)=O NO16382 [1,0,0,0,1,0|1,0,0]=3 161 B7R0.2 CNC(=O)CC(=O)O DY604593 [1,0,0,0,1,0|2,0,0]=4 162 B7R0.2 COC(=O)CC(=O)O NO13436 [1,0,0,0,1,0|1,0,0]=3 163 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [1,0,0,0,1,0|1,0,0]=3 164 B7R0.2 COC(=O)CC(N)=O DY557829 [1,0,0,0,1,0|1,0,0]=3 165 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [1,0,0,0,1,0|1,0,1]=4 166 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [1,0,0,0,1,0|0,0,2]=4 167 B7R0.2 COC(=O)C[C@H](C)N DY625921 [1,0,0,0,1,0|1,0,1]=4 168 B7R0.2 COC(=O)C[C@H](C)O DY559029 [1,0,0,0,1,0|0,0,2]=4 169 B7R0.2 COC(=O)\C=C(/C)F DY822490 [1,0,0,0,1,0|1,0,1]=4 170 B7R0.2 COC(=O)\C=C(/C)N NO13690 [1,0,0,0,1,0|1,0,1]=4 171 B7R0.5 CCOC(=O)C(C)C NO11388 [0,0,0,0,2,0|1,0,1]=4 172 B7R0.5 CCOC(=O)C(C)N DY628935 [0,0,0,0,2,0|1,0,1]=4 173 B7R0.5 CCOC(=O)C(N)=S NO11392 [0,0,0,0,2,0|1,1,0]=4 174 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,0,0,0,2,0|0,0,2]=4 175 B11R0.176 CCOC(=O)CCCCC(=O)O DY461226 [0,0,0,0,0,2|1,0,0]=3